data_2lpu_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 2lpu _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 ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.435 0.16 . . . . 75.2 110.979 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 13.8 tp -50.59 106.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 72.12 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 70.0 p -74.96 -171.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 60.3 110.386 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -76.54 -45.32 3.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 73.15 109.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -12.74 21.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 74.22 111.041 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.433 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.1 mm-40 -88.57 -33.09 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.33 110.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.68 -24.95 22.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 75.35 110.982 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 8.8 t-20 -76.47 -16.65 59.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 63.11 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 74.21 110.25 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 15.7 mt-30 -114.04 15.44 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 74.22 110.325 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -60.97 -48.38 92.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.4 109.273 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 71.3 111.007 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.3 m-20 -92.4 -34.15 14.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 75.21 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 24.7 t -69.6 -49.4 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 75.2 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' O ' ' CG2' ' A' ' 19' ' ' THR . 6.2 ptm180 -65.88 -34.41 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 74.34 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' OG1' ' A' ' 19' ' ' THR . 11.6 t -54.49 -43.81 72.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 60.25 110.001 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -85.19 -32.28 22.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 73.35 109.312 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 36' ' ' LEU . 4.5 tp -55.9 -26.77 48.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 74.33 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 72.3 p -55.36 -27.91 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 75.44 110.403 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 30.5 mttm -58.41 -30.4 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.55 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.568 ' CZ3' HG22 ' A' ' 38' ' ' VAL . 1.3 t90 -50.91 130.02 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 72.04 107.995 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.83 -15.51 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 71.31 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HG3' ' NE1' ' A' ' 21' ' ' TRP . 3.4 mtmm -85.33 -26.54 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 72.34 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 10.7 t -63.81 117.16 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 62.44 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 29.4 tt0 -107.68 -26.84 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 64.33 110.328 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -124.88 144.89 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.52 110.342 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -130.85 103.85 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 73.53 109.245 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -131.28 135.6 47.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 64.51 110.293 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 7.4 t70 -101.19 161.06 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 64.14 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 34' ' ' LEU . 35.8 m -135.02 168.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.12 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.04 32.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 72.43 110.275 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -168.35 32.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 73.43 109.289 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.75 -119.02 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 63.54 110.952 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -165.71 153.94 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 0.811 . . . . 74.34 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.469 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -134.59 106.18 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 74.03 110.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.99 165.02 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 73.44 109.315 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.464 ' OD1' ' CD2' ' A' ' 45' ' ' LEU . 2.8 t0 -119.48 96.01 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.24 109.276 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 15.7 t -86.49 126.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 73.43 109.253 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 8.4 tpp180 -94.99 89.2 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 71.13 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 46' ' ' LEU . 9.3 mp -68.46 -32.58 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.33 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.5 ttmm -149.28 156.47 42.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 73.14 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.37 -19.36 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 64.04 110.411 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.65 15.19 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.53 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 5.7 m -135.92 123.62 22.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.42 110.439 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 1.3 tm? -121.12 134.92 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 63.14 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 63' ' ' PHE . 3.4 tm? -117.7 105.25 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 62.43 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.8 tp10 -78.79 102.31 8.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 74.23 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 1.7 tm? -81.16 121.04 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 75.21 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.535 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 7.8 m170 -121.14 116.33 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 74.04 109.595 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.8 tt -100.7 137.34 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 71.03 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 6.3 p90 -151.25 142.32 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 75.33 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -83.41 150.93 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 71.1 110.961 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -130.21 114.68 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 63.45 109.33 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.425 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 3.5 m-70 -73.63 -4.45 34.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.43 109.586 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 56' ' ' TYR . 75.9 t -60.88 -45.14 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 74.4 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 116' ' ' CYS . 43.6 m-85 -119.14 0.96 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.31 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 64.89 44.04 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 71.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.66 165.19 18.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 75.33 109.291 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 18.2 Cg_endo -75.03 159.61 41.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 72.41 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.636 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 18.5 m -124.96 176.23 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 54.42 109.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.662 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 7.0 mt -138.56 129.2 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 75.11 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 8.3 ttpt -147.34 117.06 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 73.21 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 7.5 p90 -130.78 165.4 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 75.34 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 8.6 mtp180 -139.0 137.01 35.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 73.11 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 35.9 mt -82.25 142.31 32.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 73.21 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 96.0 m95 -130.32 160.41 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.22 107.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -130.68 97.46 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 75.45 110.017 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.77 125.44 26.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 72.11 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -123.01 112.58 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 75.24 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.14 34.32 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.25 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.74 -44.49 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.33 110.312 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -103.24 -12.86 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 74.45 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER 81.69 53.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.31 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -6.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 73.22 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.9 t 74.78 44.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.42 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -84.81 176.47 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.2 110.021 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -165.94 166.14 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 74.24 109.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -155.48 134.54 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 75.15 110.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 33.2 tp -55.14 141.88 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 70.05 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 95.0 mt -111.01 162.39 14.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.42 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.43 ' CG2' HG12 ' A' ' 109' ' ' VAL . 2.2 p -154.95 120.31 5.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 75.03 110.461 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -144.56 167.08 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 73.11 109.257 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -69.05 -175.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 61.24 109.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -67.62 -54.97 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 71.22 109.324 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -50.11 -37.69 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 72.2 109.981 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.11 -32.24 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 74.41 110.297 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -75.76 -17.69 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.33 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -86.05 -17.65 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.23 110.285 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -57.59 -17.2 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.5 110.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.72 -48.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 73.14 109.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 19.9 mt -79.44 166.73 21.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 75.33 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.408 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 65.5 m-80 -124.56 103.33 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.42 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -92.88 -58.13 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 73.03 109.272 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.87 -88.14 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 74.21 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.2 t -120.21 -5.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 73.33 110.417 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.27 -170.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 72.11 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.2 m -146.73 147.27 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.14 110.012 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 p -140.64 158.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 72.44 109.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 m -133.81 108.12 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.23 110.385 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.556 HD11 ' CE1' ' A' ' 111' ' ' TYR . 5.2 tt -99.44 123.39 43.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 71.35 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 75.42 110.004 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.026 -0.361 . . . . 73.42 110.026 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -149.54 163.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 72.45 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.562 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -141.51 157.84 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.12 111.017 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.685 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 22.6 m-85 -111.04 79.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 75.45 111.035 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 76.5 m-85 -70.78 104.15 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 70.32 110.978 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.0 mt -70.46 139.13 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 75.43 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.02 111.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 74.34 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 8.9 p-10 -139.09 47.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 74.32 109.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 20.3 p -88.63 -46.03 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 75.31 108.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -112.22 76.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 72.23 109.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -83.08 -50.24 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 73.14 110.402 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' N ' ' CG2' ' A' ' 118' ' ' THR . 2.7 p30 -49.4 -26.11 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 74.11 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.55 -39.96 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 75.13 109.302 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 118' ' ' THR . 72.9 m-20 -94.57 -64.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.31 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.53 ' CG1' ' CE1' ' A' ' 129' ' ' TYR . 14.2 t -52.4 -65.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 73.41 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.49 -153.34 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 75.31 110.999 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 126' ' ' VAL . 9.5 m -113.58 -15.37 12.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 60.01 110.014 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.57 92.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 74.33 109.338 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 2' ' ' LEU . 17.1 t -73.74 -8.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 74.42 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 16.5 mt-10 -68.5 -67.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 72.24 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.65 46.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 74.14 109.6 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.53 ' CE1' ' CG1' ' A' ' 122' ' ' VAL . 1.2 t80 -79.73 -49.02 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 64.45 110.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.552 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.5 mm? -59.25 -26.36 64.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.55 109.29 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -88.42 -51.93 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 71.34 110.431 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 4.4 tpt180 -65.71 -17.22 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 72.24 110.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.619 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 67.7 t90 -83.95 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 75.13 107.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 138' ' ' ILE . 2.2 tp -53.92 -56.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 73.03 109.329 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.464 ' CB ' ' HG2' ' A' ' 147' ' ' PRO . 32.7 t -55.18 -17.6 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.04 110.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.403 ' CB ' ' O ' ' A' ' 132' ' ' ARG . 1.9 tt -92.92 -32.63 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 75.13 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 11.9 m-85 -94.75 -2.28 51.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.41 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 134' ' ' ILE . 3.9 tp -86.36 -19.8 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.41 109.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -67.88 -7.99 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.34 110.34 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 21.8 mt -93.79 -10.61 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 74.41 109.291 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 141' ' ' PHE . 5.6 m-85 -111.51 -39.9 4.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 74.44 110.969 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.93 116.17 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 74.43 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.408 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 1.1 mt -90.98 3.1 55.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 73.11 109.326 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -102.61 -11.89 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 61.21 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.5 t80 -111.32 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 74.14 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.93 95.24 37.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.55 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 71.55 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 73.53 111.028 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 22.2 tp -74.83 111.41 10.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 74.54 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.487 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.2 p -76.54 -171.62 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 63.42 110.409 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -76.29 -45.65 3.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.11 109.289 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -9.96 21.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 74.43 111.018 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.33 -35.62 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.44 110.304 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -88.67 -32.29 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.14 111.017 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 t-20 -69.03 -16.3 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 71.23 109.298 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -73.37 -23.93 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 61.43 110.253 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -111.13 12.74 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 71.31 110.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -56.91 -47.49 98.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 72.51 109.322 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -74.99 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.481 1.779 . . . . 73.23 111.028 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.86 -35.22 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.35 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 31.0 t -67.43 -47.46 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 71.23 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' ' CG2' ' A' ' 19' ' ' THR . 21.8 ptt85 -66.93 -35.0 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.34 110.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 43.9 t -53.33 -43.7 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.11 110.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -84.99 -32.0 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 75.21 109.314 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 36' ' ' LEU . 4.5 tp -56.54 -23.37 39.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 72.33 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 72.5 p -60.52 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.1 110.411 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 1.3 mmmp? -58.68 -30.72 67.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 74.24 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CH2' ' CG2' ' A' ' 38' ' ' VAL . 1.1 t90 -48.86 118.75 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.005 -1.109 . . . . 73.44 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.09 -14.07 45.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 73.53 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 1.7 mtmm -85.99 -26.31 25.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.21 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 4.1 t -61.55 141.86 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 73.22 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -118.79 -37.21 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.54 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -132.97 133.91 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 75.44 110.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -113.38 117.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.15 109.276 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -138.75 145.12 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 75.32 110.275 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.45 160.86 15.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 72.44 109.289 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.04 174.99 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.41 109.272 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -62.55 92.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 75.14 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.82 48.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 74.14 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 50' ' ' ILE . . . 177.93 -170.4 42.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 62.33 111.0 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -157.65 140.84 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 70.41 109.302 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' CD ' ' O ' ' A' ' 35' ' ' GLN . 2.4 tm0? -126.69 105.3 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 71.44 110.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.687 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.49 171.04 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 74.51 109.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.94 94.57 4.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 72.54 109.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.582 ' CG2' ' CH2' ' A' ' 21' ' ' TRP . 29.7 t -90.42 131.2 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.55 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -105.01 90.99 3.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 74.34 110.34 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 46' ' ' LEU . 8.3 mp -69.38 -36.3 76.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 71.1 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.0 ttmt -140.51 156.52 46.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 64.34 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -60.45 -14.64 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.2 110.382 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -129.02 19.8 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.33 109.269 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 24.8 m -135.5 148.44 49.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 73.54 110.427 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 38' ' ' VAL . 1.5 tm? -141.48 129.45 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 70.34 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.555 HD21 ' CD1' ' A' ' 63' ' ' PHE . 1.3 tm? -115.68 96.28 5.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.44 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' OE1' ' NE2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -74.62 122.09 22.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.01 110.37 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -105.16 125.33 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.15 109.307 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' NE2' ' OE1' ' A' ' 47' ' ' GLU . 6.7 m170 -121.95 124.04 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 74.21 109.596 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.1 tt -102.14 126.22 56.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.23 109.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 20.4 p90 -143.77 150.01 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.23 111.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.566 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -105.7 151.37 24.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 73.41 110.973 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' CD2' ' A' ' 56' ' ' TYR . 57.9 t0 -111.33 133.84 53.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 55.23 109.27 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -88.18 3.41 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 73.31 109.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -104.81 -17.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 73.5 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.441 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 18.9 m-30 -116.55 -13.65 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 75.32 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 57.51 37.81 27.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 73.14 109.625 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.8 162.03 28.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 74.1 109.281 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 61.31 111.031 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.573 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -138.12 -174.21 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 73.35 110.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' A' ' 137' ' ' TYR . 1.6 mm -138.32 138.6 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 74.4 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -155.43 130.57 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.25 109.266 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 22.7 p90 -148.51 173.89 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 64.35 111.012 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 19.2 mtm180 -147.25 134.14 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 75.34 110.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.44 144.38 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 74.2 109.278 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 79' ' ' LEU . 80.4 m95 -138.72 152.98 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 74.32 108.039 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -129.15 97.7 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 73.53 109.982 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.8 124.97 22.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 74.21 109.299 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.19 113.65 22.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.23 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.7 36.61 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 73.22 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.91 -40.32 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.21 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -106.95 -3.12 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 74.45 110.248 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 66.86 50.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.45 109.286 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.86 -8.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 71.14 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.6 t 79.11 44.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 65.04 110.04 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.68 177.29 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.52 109.979 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -169.16 165.71 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 74.5 109.313 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -155.15 145.42 21.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 72.31 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 21.6 tp -66.24 130.6 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 63.15 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 30.2 mt -95.24 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 74.24 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 93.96 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.12 110.407 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -126.47 167.0 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.32 109.267 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 t -71.94 -168.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 53.24 109.972 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -72.77 -54.85 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 75.12 109.294 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.7 m -39.23 -30.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 73.54 110.045 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' SER . 1.9 mt-10 -87.01 -47.89 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.32 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 91' ' ' LEU . 50.5 tp -54.89 -58.53 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 75.54 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -29.48 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 74.43 110.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.0 t -45.15 -28.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.32 110.034 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.69 -41.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 73.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 7.8 mt -75.32 165.15 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.31 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.465 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 67.9 m-80 -126.78 103.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 74.53 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.59 -58.01 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 54.2 109.306 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.16 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 62.45 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.9 t -113.65 -18.67 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 74.22 110.359 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CD2' HD11 ' A' ' 140' ' ' ILE . 3.0 m-85 -74.03 -173.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 64.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.4 m -143.99 -175.76 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 62.43 109.967 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.14 169.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 73.44 109.314 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' TYR . 2.2 m -149.01 105.78 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.24 110.394 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 111' ' ' TYR . 3.0 tt -94.45 128.48 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 75.31 109.353 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 64.42 110.024 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.008 -0.368 . . . . 73.24 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.447 ' CG1' ' CD2' ' A' ' 100' ' ' LEU . 16.2 t -145.66 155.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 73.42 109.239 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.509 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 5.1 m-85 -146.5 151.87 38.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 75.43 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 12.4 m-85 -117.88 74.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 73.31 111.026 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 83.3 m-85 -64.02 113.89 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 74.23 111.019 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 114' ' ' ASN . 2.4 mt -82.66 127.7 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 73.51 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 113' ' ' ILE . 3.2 m-80 -40.02 117.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 64.22 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -136.73 12.4 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 74.11 109.253 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -60.16 -47.59 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 72.42 108.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 1.1 m-20 -92.72 57.62 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.32 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -71.68 -45.57 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.5 110.403 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.32 -28.37 69.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 73.21 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.59 -11.7 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 71.53 109.299 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 0.8 OUTLIER -85.38 -63.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.43 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 124' ' ' SER . 2.8 t -93.89 -65.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 72.34 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 37.19 32.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 71.1 111.003 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 122' ' ' VAL . 94.8 p -82.85 -75.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 73.24 110.017 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.417 ' N ' ' OG ' ' A' ' 124' ' ' SER . 19.0 m-20 -157.13 135.97 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 73.13 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.09 -13.8 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 71.12 109.259 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.91 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.5 110.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.3 OUTLIER -111.4 46.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 74.42 109.604 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.417 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 3.4 t80 -78.62 -42.16 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.43 111.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.509 ' O ' ' CG2' ' A' ' 134' ' ' ILE . 2.4 mm? -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.11 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.1 p -90.03 -50.74 5.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 75.33 110.383 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.403 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 12.2 ttt180 -66.11 -17.05 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.21 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.651 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 63.1 t90 -85.81 -62.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.31 108.058 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -52.59 -54.43 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 73.44 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.7 t -56.76 -16.83 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.12 109.983 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.692 ' CD2' ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -92.43 -33.81 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 75.42 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 16.2 m-85 -94.15 -2.44 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.54 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.2 tp -88.14 -22.6 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 75.21 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.417 ' NH2' ' CG1' ' A' ' 146' ' ' VAL . 46.2 mtt-85 -68.5 -7.93 36.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.43 110.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.507 HD11 ' CD2' ' A' ' 96' ' ' PHE . 13.5 mt -90.27 -10.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 73.3 109.294 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.41 -28.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.5 111.021 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.56 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.07 119.93 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.13 109.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.465 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 5.3 mt -98.68 2.72 47.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 72.13 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.43 -17.06 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.23 109.34 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 0.8 OUTLIER -105.87 109.34 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.32 110.958 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.417 ' CG1' ' NH2' ' A' ' 139' ' ' ARG . 0.0 OUTLIER -117.82 96.04 48.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.5 109.31 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 75.44 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.502 0.192 . . . . 74.45 110.983 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 33.3 tp -50.68 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 75.15 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -54.11 166.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 62.42 110.392 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -71.36 -44.93 13.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 70.44 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -11.57 21.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 75.3 111.019 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -88.74 -36.03 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 72.51 110.334 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CE1' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -84.29 -20.25 32.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 74.44 111.023 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 17.7 m-20 -79.27 -16.51 56.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 64.22 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -72.35 -23.87 61.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 74.25 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.4 mt-30 -111.56 15.7 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 73.41 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -62.77 -48.1 86.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.31 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 74.21 110.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.6 m-20 -90.91 -36.6 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 71.35 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG12 ' CG1' ' A' ' 134' ' ' ILE . 24.5 t -66.56 -54.59 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 72.51 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.466 ' O ' ' CG2' ' A' ' 19' ' ' THR . 9.8 ptt180 -63.5 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 73.23 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' OG1' ' A' ' 19' ' ' THR . 2.1 t -51.21 -44.07 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 64.53 109.976 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -87.23 -30.9 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 72.01 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 36' ' ' LEU . 7.3 tp -57.84 -19.99 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 75.1 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 82.2 p -63.79 -11.77 29.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.01 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -78.51 -26.8 45.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 74.42 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.574 ' CE3' HG22 ' A' ' 24' ' ' VAL . 4.6 t90 -59.42 134.46 57.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 74.14 108.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.94 -10.26 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 73.42 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 18.4 mmmt -81.75 -26.25 34.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 74.31 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.574 HG22 ' CE3' ' A' ' 21' ' ' TRP . 87.1 t -69.38 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.14 109.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -112.32 -37.57 4.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 72.33 110.287 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -127.13 136.12 51.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 73.52 110.282 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -119.57 106.14 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 73.32 109.268 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -129.67 135.58 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 73.4 110.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 15.2 p-10 -96.74 164.0 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 65.54 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.6 m -138.71 168.34 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 74.42 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -91.7 37.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 73.1 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -177.34 36.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 73.05 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.87 -124.22 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 71.13 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -162.94 149.33 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 63.43 109.307 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.7 tm0? -130.04 115.26 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 55.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -123.9 172.17 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.52 109.298 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.6 96.69 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 74.44 109.266 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG12 ' CH2' ' A' ' 21' ' ' TRP . 2.8 t -85.13 148.62 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 75.32 109.27 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.19 79.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 74.51 110.249 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD12 ' CD1' ' A' ' 90' ' ' ILE . 14.4 mt -51.48 -45.93 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 72.24 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -136.51 158.89 43.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 73.04 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -61.45 -13.34 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 75.3 110.375 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.0 12.61 6.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 63.41 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 m -129.09 156.94 43.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 73.02 110.387 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 38' ' ' VAL . 2.2 tm? -136.24 143.82 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.41 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD23 ' CD2' ' A' ' 63' ' ' PHE . 1.1 tm? -128.27 104.99 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 74.4 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 0.9 OUTLIER -90.53 121.78 32.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 73.23 110.292 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD13 ' CZ ' ' A' ' 141' ' ' PHE . 0.4 OUTLIER -108.79 128.42 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 72.3 109.36 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 3.9 m170 -124.39 104.04 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 74.5 109.595 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 HD11 ' CZ3' ' A' ' 133' ' ' TRP . 13.8 tt -85.12 143.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 73.31 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 14.4 p90 -154.8 -178.49 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 74.32 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CD1' HD21 ' A' ' 4' ' ' LEU . 32.6 t80 -98.36 143.14 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.12 111.008 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' HIS . 17.2 t0 -113.94 82.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 73.14 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.491 ' CE1' ' CD2' ' A' ' 52' ' ' TYR . 50.3 m-70 -55.96 -18.81 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.33 109.626 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -57.01 -43.61 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 75.34 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -122.56 3.11 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 75.34 110.979 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 32.6 m-70 60.21 49.09 7.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 73.3 109.612 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.24 164.03 22.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 71.3 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 147.46 33.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 73.41 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 10.3 t -128.71 179.92 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.45 109.983 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 5.4 mt -134.83 143.01 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 74.53 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 0.5 OUTLIER -155.42 118.45 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 75.54 109.29 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 21.2 p90 -134.27 171.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.33 110.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 13.8 mtm180 -140.78 124.9 17.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 75.43 110.275 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 72.3 mt -67.0 146.92 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 74.03 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 86.0 m95 -139.98 154.11 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.21 108.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.55 97.66 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 75.21 110.019 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -66.87 123.71 20.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 73.11 109.312 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.65 109.43 16.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 72.02 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 34.83 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.42 110.425 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -42.89 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 65.44 110.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.9 mt-10 -105.81 -11.57 16.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 71.24 110.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.77 52.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.44 109.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -112.8 -3.47 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 73.4 109.268 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t 70.75 41.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 71.2 110.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.456 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -80.03 175.02 11.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 70.44 110.023 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 pp -169.33 162.92 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 63.43 109.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.82 134.5 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.54 110.27 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 7.3 tp -55.12 125.32 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 75.15 109.357 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 30.1 mt -90.42 142.66 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 71.1 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -137.04 96.26 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.24 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -129.86 167.17 18.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 74.33 109.304 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -65.3 -171.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.33 110.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' ARG . 67.4 m-20 -73.12 -36.43 66.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 63.24 109.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -48.26 -42.24 30.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 74.3 109.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 3.3 mt-10 -82.55 -45.23 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 73.24 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.21 -20.06 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.15 109.273 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.9 tmt_? -89.54 -20.51 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 71.34 110.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -59.73 -15.99 24.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 75.34 110.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -123.77 -47.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 74.51 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 63' ' ' PHE . 3.2 mt -79.34 173.24 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.2 109.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -136.48 106.07 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 72.3 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.81 -58.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.44 109.252 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.96 -81.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 51.1 111.04 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.9 t -113.59 -20.76 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 71.54 110.373 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.36 -176.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.54 110.965 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -144.88 160.0 41.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 73.24 109.965 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.27 168.53 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.04 109.324 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -141.99 109.53 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 72.34 110.424 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.516 HD12 ' CZ ' ' A' ' 111' ' ' TYR . 5.4 tt -90.37 126.3 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 52.34 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 41.33 109.988 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.98 -0.378 . . . . 70.33 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.462 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 85.1 t -146.13 161.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 70.42 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 109' ' ' VAL . 1.5 m-85 -153.29 179.55 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.21 110.998 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 41.4 m-85 -137.67 81.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.55 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 80.8 m-85 -70.84 108.54 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 71.13 111.03 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 114' ' ' ASN . 5.9 mt -69.49 146.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 74.25 109.323 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.513 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -66.92 110.32 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 74.12 109.308 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 32.9 t30 -129.73 38.06 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 73.15 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.09 -45.7 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 62.42 108.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 1.0 OUTLIER -95.3 61.83 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 73.41 109.312 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 97.3 m -65.82 -60.21 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 74.45 110.387 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.34 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.54 -12.1 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.42 109.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 11.1 m-20 -84.8 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.45 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.573 HG13 ' CE1' ' A' ' 129' ' ' TYR . 7.0 p -104.96 -51.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.43 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.463 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 37.41 38.33 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 74.53 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -73.93 -80.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 62.43 109.975 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -161.27 138.92 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.45 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.457 ' CG1' ' CD1' ' A' ' 2' ' ' LEU . 41.1 t -62.82 -14.01 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.24 109.331 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.32 -67.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 73.44 110.279 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -116.65 46.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 73.43 109.589 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 122' ' ' VAL . 3.7 t80 -75.24 -37.46 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.13 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 7' ' ' TYR . 2.6 mm? -58.44 -28.81 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 75.45 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 18.3 p -88.53 -49.34 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 64.11 110.433 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -66.25 -16.86 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 73.24 110.356 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.646 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 69.9 t90 -87.08 -60.92 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.948 -1.13 . . . . 73.43 107.948 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 138' ' ' ILE . 2.5 tp -54.18 -54.42 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 74.53 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.423 ' HA ' ' CG2' ' A' ' 138' ' ' ILE . 41.3 t -57.43 -15.62 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 74.04 110.011 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.475 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -93.89 -34.67 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.1 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 9.0 m-85 -94.35 -2.24 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 73.13 111.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.8 tp -84.22 -29.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 72.32 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 139' ' ' ARG . 14.5 mtm105 -60.11 -30.11 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.23 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.75 -9.37 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 71.01 109.299 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 48' ' ' LEU . 98.0 m-85 -119.05 -31.66 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.31 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.57 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 1.1 p30 -148.51 107.46 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 64.45 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.4 mt -86.25 3.25 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 73.34 109.281 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.62 -12.08 17.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 73.12 109.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 18.3 t80 -121.02 108.92 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.23 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.13 94.32 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 75.11 109.339 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 73.1 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ptm . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.465 0.174 . . . . 65.01 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 5.8 tp -50.25 98.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 73.34 109.294 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.481 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 71.0 p -73.18 -167.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 61.45 110.426 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.614 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -75.64 -46.06 4.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 74.4 109.283 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.98 -7.73 19.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 72.13 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.53 -37.98 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 72.21 110.276 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -88.63 -35.89 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 72.51 110.977 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.569 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.1 t-20 -65.09 -17.91 64.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.41 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -73.21 -22.98 60.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.25 110.265 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.435 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 3.5 mt-30 -118.37 18.87 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 74.45 110.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.569 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -62.57 -47.84 87.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.42 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.17 9.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 72.43 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.5 m-20 -90.83 -33.64 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.51 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 16.3 t -70.22 -54.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 65.43 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' CG2' ' A' ' 19' ' ' THR . 19.6 ptt180 -64.58 -34.74 78.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.52 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -52.53 -44.0 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 61.04 110.015 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' ' CB ' ' A' ' 147' ' ' PRO . 3.2 pp -86.57 -31.91 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 73.55 109.259 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 36' ' ' LEU . 5.8 tp -56.37 -23.07 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.14 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 68.8 p -57.08 -16.82 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.11 110.415 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -74.24 -30.47 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.4 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.57 ' CZ3' HD13 ' A' ' 138' ' ' ILE . 1.9 t90 -55.64 128.13 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.54 108.032 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.97 -11.39 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 74.13 109.28 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -82.43 -16.06 50.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 71.34 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 51.8 t -78.63 123.46 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 75.02 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.02 -25.92 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 62.45 110.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -125.51 132.94 52.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 75.44 110.334 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mm -126.2 109.06 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.31 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -143.57 146.17 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 72.22 110.247 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -108.07 157.08 18.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 73.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 1.3 m -131.66 175.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 52.23 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.45 92.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.41 110.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 74.03 49.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 75.23 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 174.55 -174.62 46.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 63.42 111.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -149.26 144.71 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 63.44 109.319 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -129.38 111.8 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 74.52 110.274 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.01 168.99 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.05 109.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.78 95.12 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.34 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG13 ' CH2' ' A' ' 21' ' ' TRP . 5.5 t -82.29 123.93 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 73.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -85.42 79.67 9.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 71.14 110.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 90' ' ' ILE . 16.1 mt -55.62 -37.1 67.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 75.33 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 18.2 ttmt -145.32 157.84 43.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 73.54 109.276 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.14 -15.65 15.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.1 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -130.01 20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 74.03 109.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 34.6 m -133.72 151.84 51.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.22 110.396 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -135.24 139.32 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.32 109.261 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.537 HD22 ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -125.93 107.39 10.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 73.13 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 45' ' ' LEU . 23.9 mt-10 -85.89 107.12 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.34 110.272 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 ' CZ ' ' A' ' 141' ' ' PHE . 1.3 tt -96.19 140.8 30.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.04 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -134.96 126.57 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.54 109.643 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 6.9 tt -105.93 127.07 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.35 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -138.89 172.53 12.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 74.13 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CG ' HD22 ' A' ' 4' ' ' LEU . 61.5 t80 -102.32 150.08 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.43 110.973 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.13 111.19 20.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 64.32 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -81.04 3.74 22.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 71.12 109.606 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -85.95 -40.36 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 74.24 109.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.04 -7.67 9.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.33 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 64.7 51.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.42 109.579 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.33 165.3 18.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 73.42 109.337 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.3 32.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 74.42 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 13.1 t -124.38 171.4 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 73.11 110.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.56 HD13 ' CZ2' ' A' ' 133' ' ' TRP . 13.6 mt -138.54 137.54 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.41 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 25.8 ttpt -155.58 123.4 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 74.21 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.537 ' CD1' HD22 ' A' ' 46' ' ' LEU . 6.7 p90 -136.45 166.73 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 73.53 110.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.635 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 5.0 mtp180 -132.51 124.85 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 75.31 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' CD2' ' CD1' ' A' ' 40' ' ' LEU . 64.7 mt -72.85 138.66 46.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 74.31 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.635 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 89.4 m95 -127.93 171.21 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 73.34 108.03 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -142.54 97.47 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 72.43 109.998 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 122.68 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 73.43 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.4 113.34 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 75.35 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 29.79 5.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 63.41 110.378 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.44 -42.08 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 73.24 110.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 2.9 mt-10 -105.31 -14.95 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 63.22 110.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.4 t70 81.74 48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.11 109.278 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.96 -2.12 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 73.04 109.289 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t 73.56 43.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 71.15 110.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.453 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -78.14 176.75 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.23 109.991 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD12 ' CE3' ' A' ' 66' ' ' TRP . 3.8 pp -169.39 164.86 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 72.14 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' SER . 45.8 ttp85 -155.28 158.41 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.31 110.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.49 HD11 ' CE3' ' A' ' 66' ' ' TRP . 8.7 tp -73.13 130.55 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 72.42 109.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.19 162.64 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 72.22 109.268 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -155.18 104.84 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 71.14 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.43 167.07 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.35 109.278 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -71.07 -168.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 74.54 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -76.71 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 70.43 109.266 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 t -51.16 -32.74 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 63.33 110.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -82.54 -29.61 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.23 110.255 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 91' ' ' LEU . 2.3 tm? -83.24 -15.16 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 61.13 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -81.09 -19.13 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 73.55 110.271 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -65.4 -22.19 66.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 74.25 109.995 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -112.5 -34.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 71.41 109.272 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 19.1 mt -95.27 -179.67 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.43 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.9 m-80 -144.69 101.32 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 72.11 109.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.97 -58.38 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.51 109.334 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.62 -81.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 72.23 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -118.75 -8.25 10.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 72.22 110.396 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.0 -171.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 72.35 110.947 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -149.23 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.31 109.986 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.4 p -153.73 160.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 70.01 109.293 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -136.89 132.24 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.14 110.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD1' ' CE1' ' A' ' 111' ' ' TYR . 6.4 tt -92.2 136.54 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 75.42 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 23.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 74.2 109.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.995 -0.372 . . . . 72.32 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.448 ' CG1' HD21 ' A' ' 79' ' ' LEU . 2.9 p -134.74 163.1 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.14 109.276 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 101' ' ' SER . 0.8 OUTLIER -160.59 175.78 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.53 110.985 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.48 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 34.0 m-85 -121.92 157.76 30.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.01 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 34.2 m-85 -136.67 103.3 5.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 75.25 111.057 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.63 132.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 74.43 109.33 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.06 110.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.21 109.261 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -141.67 28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 74.01 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.68 -41.86 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.11 108.298 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.438 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 61.4 m-20 -115.16 84.67 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 75.3 109.338 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.498 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 21.1 m -78.88 -57.14 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.33 110.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.39 -26.12 64.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.25 109.341 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.79 -15.36 37.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 73.34 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 20.3 m-20 -94.53 -69.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.43 109.253 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 123' ' ' GLY . 8.0 p -82.56 -54.36 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.42 109.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.455 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 85.26 -19.9 20.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 42.43 111.001 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.588 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 12.4 t -38.09 142.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.8 . . . . 74.24 109.98 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.79 -178.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.14 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.5 t -84.33 -8.54 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.32 109.318 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.41 -67.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 74.03 110.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.08 47.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.5 109.628 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 124' ' ' SER . 2.1 t80 -77.04 -47.9 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.21 111.018 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 4.3 mm? -67.92 -21.39 65.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.21 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.4 p -89.72 -36.6 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.45 110.391 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.72 -16.51 36.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.45 110.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.56 ' CZ2' HD13 ' A' ' 61' ' ' ILE . 80.4 t90 -86.4 -39.3 16.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.34 108.033 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.526 HD12 ' CE2' ' A' ' 137' ' ' TYR . 9.6 tp -61.99 -47.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 72.42 109.29 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.474 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 46.5 t -72.82 -3.68 27.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 73.13 109.982 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.454 ' CD1' ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.53 -44.22 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 72.42 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.624 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -85.99 -48.62 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 72.22 111.021 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.57 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 5.2 tp -51.26 -30.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 72.1 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 135' ' ' SER . 9.3 mtp180 -59.01 -34.51 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 74.52 110.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASN . 74.4 mt -64.59 -10.82 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.54 109.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.576 ' CZ ' HD12 ' A' ' 48' ' ' LEU . 5.7 m-85 -116.9 -27.47 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.52 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -147.98 100.65 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 71.22 109.269 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.8 2.66 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 72.5 109.289 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -102.2 -25.84 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 74.12 109.266 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 4.2 t80 -99.52 104.88 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 73.41 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 96.63 36.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 72.15 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 135' ' ' SER . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 54.55 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.473 0.178 . . . . 73.33 111.005 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.1 136.72 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 72.41 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 49.5 p -81.38 -174.02 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.13 110.401 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -77.58 -44.71 2.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 75.31 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -11.79 21.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 75.31 111.013 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 4.9 mm-40 -88.27 -33.64 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.54 110.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.97 -19.71 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 74.43 110.993 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 5.8 t-20 -76.11 -15.15 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 74.41 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -71.36 -25.46 62.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 73.22 110.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.434 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -111.92 15.34 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 72.43 110.296 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.587 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -62.91 -46.86 87.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 71.31 109.283 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.97 0.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 61.45 111.001 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.8 m-20 -91.68 -34.72 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 74.34 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 4.0 t -71.67 -47.13 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 73.33 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 19' ' ' THR . 31.0 ptt180 -68.8 -18.63 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.34 110.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' OG1' ' A' ' 19' ' ' THR . 13.3 t -75.55 -37.52 59.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 74.21 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' CD1' HD22 ' A' ' 18' ' ' LEU . 4.6 pp -88.62 -29.34 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 72.33 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 17' ' ' LEU . 8.8 mt -71.27 -28.18 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.34 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -61.97 -12.46 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 73.54 110.37 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.65 -20.97 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.44 109.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.573 ' CZ3' HG22 ' A' ' 38' ' ' VAL . 1.4 t90 -48.71 130.55 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 74.42 108.046 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 -1.53 57.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 75.41 109.234 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -101.58 -26.29 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 75.02 109.306 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 HG22 ' CE3' ' A' ' 21' ' ' TRP . 15.9 t -62.25 134.09 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 73.32 109.276 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 22.2 tt0 -111.71 -31.87 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 73.12 110.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -125.91 143.5 51.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.24 110.283 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 mm -129.49 103.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 64.12 109.272 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -128.39 136.36 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 64.34 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -109.45 139.42 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 74.14 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 34' ' ' LEU . 26.5 m -109.98 169.69 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 63.22 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.547 ' CG ' ' O ' ' A' ' 31' ' ' GLN . 6.8 tt0 -90.95 21.41 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 74.22 110.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -153.93 26.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 70.3 109.305 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.57 -121.33 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 53.02 110.995 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -164.55 148.17 9.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 73.44 109.338 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.473 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.2 tm0? -132.86 110.88 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 74.3 110.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.46 168.81 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 72.45 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 4.4 m-20 -127.99 95.45 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 74.13 109.257 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.573 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 2.2 t -88.06 148.55 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 73.2 109.332 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 17.3 tpp180 -106.1 78.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.53 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' ' CD1' ' A' ' 90' ' ' ILE . 11.8 mt -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 74.24 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.8 ttmt -144.97 157.37 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 75.33 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -58.9 -19.81 45.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.53 110.382 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.74 21.8 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 74.54 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 66' ' ' TRP . 13.6 m -139.01 141.66 38.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 72.03 110.376 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -124.23 129.38 50.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 73.1 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 63' ' ' PHE . 1.5 tm? -108.92 98.4 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 71.11 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.9 tt0 -80.38 105.43 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.31 110.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 141' ' ' PHE . 1.8 tt -96.19 129.82 43.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 74.13 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -133.21 126.77 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 75.52 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.513 HD13 ' CZ3' ' A' ' 133' ' ' TRP . 12.2 tt -103.86 140.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 73.3 109.349 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 39.4 p90 -153.82 139.49 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.32 111.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CB ' HD21 ' A' ' 4' ' ' LEU . 80.0 t80 -68.16 136.28 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 74.43 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -100.62 109.54 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 74.22 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -79.78 1.46 26.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 73.23 109.631 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 56' ' ' TYR . 2.2 m -85.36 -35.31 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 73.45 109.263 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 55' ' ' VAL . 42.1 m-85 -122.42 -3.59 8.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 64.33 111.012 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 9.2 m-70 67.29 23.75 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 70.14 109.613 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -127.93 161.89 53.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 64.13 109.345 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 149.16 36.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 72.21 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -123.49 174.73 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.13 110.006 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 20.3 mt -138.98 129.42 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.44 109.26 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -142.74 133.11 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 73.51 109.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.674 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 31.5 p90 -144.35 157.33 44.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.42 111.027 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.8 mtm180 -127.88 122.54 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.11 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 35.1 mt -66.83 147.44 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 72.34 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 86.8 m95 -140.57 154.36 46.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 74.33 107.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 80' ' ' LEU . 6.2 t -126.15 97.35 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 75.54 110.063 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.417 HD11 ' NH1' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -66.42 120.52 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.22 109.279 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.26 112.51 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.03 109.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 32.97 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 73.35 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -42.7 -43.24 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.54 110.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.6 mt-10 -104.97 -13.77 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.44 110.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t0 81.85 50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 75.42 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.38 -8.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.31 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 80.09 42.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.1 109.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -75.37 -177.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 64.33 110.015 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.8 pp -174.49 163.46 3.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 74.34 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 130.97 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 74.3 110.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 11.5 tp -56.69 134.36 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 74.34 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 67' ' ' SER . 72.8 mt -99.89 140.93 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 63.3 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.0 m -136.36 87.68 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 75.2 110.415 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.87 167.19 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.55 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 m -57.7 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 60.51 109.98 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -81.37 -27.84 34.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.32 109.304 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -64.26 -42.32 96.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 72.11 110.02 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . 3.7 mm-40 -72.92 -46.83 50.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 72.14 110.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.608 ' CD1' ' CE1' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -57.4 -44.05 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.22 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -54.95 -18.53 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 71.12 110.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 8.9 t -57.08 -20.21 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 73.51 110.026 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -118.64 -40.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 72.44 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.674 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 10.9 mt -86.49 178.37 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.53 109.307 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -140.1 105.1 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 73.24 109.254 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.613 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.98 -57.96 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.32 109.334 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.5 -81.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 23.14 110.972 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.8 t -118.23 12.14 13.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 0.771 . . . . 72.13 110.429 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -103.85 -177.03 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 75.52 111.047 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.4 t -145.81 166.66 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 63.41 110.019 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 99' ' ' THR . 6.7 p -140.7 166.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 63.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.4 ' N ' ' CG2' ' A' ' 98' ' ' VAL . 5.5 m -135.06 107.18 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 75.15 110.38 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -97.42 123.72 41.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 73.11 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 73.4 110.021 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.009 -0.367 . . . . 75.25 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.422 ' C ' ' CD1' ' A' ' 110' ' ' TYR . 18.0 t -146.46 153.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 73.32 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -146.75 168.06 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 75.44 110.994 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE1' ' CD1' ' A' ' 87' ' ' LEU . 39.0 m-85 -123.24 78.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 75.21 110.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.555 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 87.8 m-85 -69.76 100.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 75.52 110.989 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -54.11 143.36 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 75.14 109.305 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.7 105.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 65.32 109.306 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 14.7 t30 -126.55 65.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 74.31 109.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 12.6 t -103.29 -55.54 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 75.05 108.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.436 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 20.8 p-10 -90.55 61.23 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.32 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.5 m -67.13 -49.56 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 74.5 110.425 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -67.45 -30.72 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.43 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.6 -10.76 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 61.31 109.314 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 6.3 m-20 -84.44 -69.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 74.24 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.533 ' CG1' ' CZ ' ' A' ' 129' ' ' TYR . 3.1 p -99.07 -50.33 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 60.55 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 35.95 61.6 0.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 73.12 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -76.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 62.43 109.972 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.06 140.35 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 71.31 109.289 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.91 -21.35 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 74.34 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -48.15 -67.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.3 110.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.401 ' O ' ' OG1' ' A' ' 131' ' ' THR . 15.8 m-70 -127.6 47.0 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.23 109.584 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.533 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 5.8 t80 -65.44 -27.6 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.31 111.033 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -61.71 -30.48 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 74.3 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 128' ' ' HIS . 20.3 p -83.67 -46.25 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 63.11 110.427 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -71.99 -17.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 74.15 110.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 72.3 t90 -86.79 -58.97 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 75.21 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 138' ' ' ILE . 9.2 tp -55.53 -53.98 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 73.33 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.435 ' N ' ' CG2' ' A' ' 134' ' ' ILE . 41.6 t -54.06 -18.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 74.24 109.991 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.682 ' CD2' ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -90.75 -33.77 15.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 70.31 109.301 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.682 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 14.6 m-85 -94.26 -2.54 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.43 110.975 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.567 HG12 ' CE1' ' A' ' 145' ' ' PHE . 2.9 tp -83.27 -27.0 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 71.11 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -69.27 -5.75 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.32 110.31 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.0 mt -92.92 -10.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 73.43 109.261 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.571 ' CE1' HD12 ' A' ' 48' ' ' LEU . 94.9 m-85 -115.96 -39.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 75.22 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.465 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -147.89 113.75 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 75.21 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.7 mt -85.94 3.38 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.34 109.268 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.24 -15.74 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 74.43 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 138' ' ' ILE . 42.1 t80 -76.73 112.25 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 74.22 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.85 102.71 46.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 73.23 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 71.21 111.044 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.475 0.178 . . . . 75.41 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 21.2 tp -50.63 100.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.34 109.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.6 p -64.88 -172.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 71.52 110.406 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -76.51 -45.57 3.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 75.13 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.92 -11.05 21.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 72.32 111.048 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.467 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 30.8 mm-40 -88.78 -32.92 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.11 110.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -88.28 -20.32 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 75.32 111.007 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 12.4 m-20 -79.75 -15.25 57.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 70.13 109.256 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 71.11 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -114.5 15.84 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.44 110.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.93 -47.46 98.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.22 109.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 65.24 111.001 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.54 -35.65 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 62.53 109.292 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 39.2 t -65.4 -50.77 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 60.43 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' O ' ' CG2' ' A' ' 19' ' ' THR . 8.2 ptm180 -65.25 -29.65 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 75.43 110.322 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 19' ' ' THR . 3.3 t -59.4 -41.99 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 73.32 109.984 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -85.84 -32.44 21.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 63.3 109.335 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 4.4 tp -55.99 -23.51 33.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.41 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 81.7 p -57.85 -29.17 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 73.23 110.417 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 57.1 mmtt -58.49 -21.13 50.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.55 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.598 ' CZ3' ' CG2' ' A' ' 38' ' ' VAL . 1.3 t90 -71.09 110.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 73.34 107.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.33 -13.25 58.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 71.01 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.52 -26.25 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 72.2 109.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 41.4 t -61.5 138.68 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.45 109.259 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' CD ' ' NH2' ' A' ' 39' ' ' ARG . 13.0 tt0 -115.92 -34.75 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.45 110.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -124.99 155.68 39.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.41 110.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' CD1' HD22 ' A' ' 36' ' ' LEU . 2.2 mm -138.49 106.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 70.02 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.72 151.45 51.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 73.23 110.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.92 151.15 30.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.1 109.333 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG21 ' CA ' ' A' ' 34' ' ' LEU . 6.3 m -128.48 157.43 40.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 73.42 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 8.7 tt0 -59.09 92.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.12 110.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER 81.98 58.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 75.01 109.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.37 -160.91 30.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 74.44 111.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -158.98 154.77 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 72.31 109.272 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.483 ' NE2' ' HE2' ' A' ' 47' ' ' GLU . 1.8 tm0? -139.31 114.36 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.34 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -122.93 169.05 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 74.24 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.5 95.57 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.04 109.277 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.598 ' CG2' ' CZ3' ' A' ' 21' ' ' TRP . 59.6 t -86.66 112.37 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 74.14 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' CD ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -82.4 94.51 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 74.34 110.297 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 HD12 ' CG1' ' A' ' 38' ' ' VAL . 9.0 mp -76.98 -40.97 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.22 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -136.79 156.81 48.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.05 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 m -59.7 -15.73 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.35 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -131.38 22.0 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.34 109.341 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 10.5 m -139.74 138.11 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 73.22 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -131.03 133.92 46.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 74.23 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 63' ' ' PHE . 1.6 tm? -114.46 85.98 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.53 109.338 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.2 tp10 -67.3 107.53 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 71.21 110.274 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.64 128.68 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 74.43 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.552 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 1.6 m170 -129.46 116.71 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 72.42 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -94.49 131.52 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.42 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.571 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 7.3 p90 -147.87 141.03 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.4 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD1' HD23 ' A' ' 4' ' ' LEU . 29.7 t80 -86.4 141.25 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 74.43 111.044 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.455 ' OD1' ' CG2' ' A' ' 55' ' ' VAL . 54.9 t0 -114.47 127.78 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.33 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -83.47 3.81 30.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.41 109.62 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 56' ' ' TYR . 55.2 t -70.24 -45.16 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.24 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CD2' HG11 ' A' ' 55' ' ' VAL . 61.0 m-85 -119.55 -0.23 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 73.54 111.009 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 64.94 48.5 2.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 75.24 109.554 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.478 ' CG1' ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.33 165.2 18.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 61.41 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 7' ' ' TYR . 18.6 Cg_endo -74.95 155.1 43.13 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 74.02 111.041 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.571 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 29.7 t -136.65 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 61.03 110.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD2' ' A' ' 137' ' ' TYR . 1.4 mp -130.36 148.09 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 73.11 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 16.9 ttpt -155.17 119.04 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 62.35 109.338 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD1' HD23 ' A' ' 46' ' ' LEU . 52.1 p90 -136.45 171.11 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.13 111.025 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 18.3 mtm180 -143.0 128.05 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 74.32 110.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 87' ' ' LEU . 64.3 mt -65.96 137.98 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 72.22 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 91.4 m95 -133.52 150.85 51.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.973 -1.121 . . . . 74.4 107.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 80' ' ' LEU . 60.4 p -125.23 97.6 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.2 109.992 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 122.5 18.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 74.1 109.317 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -117.67 113.75 22.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.03 109.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.19 34.01 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 70.31 110.387 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -55.64 -36.19 66.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 71.4 110.256 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.56 -1.98 20.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 75.22 110.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.33 47.85 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 61.14 109.346 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.42 ' CG2' ' HB2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -116.08 -8.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.45 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.8 t 79.17 50.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.15 110.033 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -176.17 5.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.43 110.009 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.9 pp -172.75 167.15 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 75.52 109.275 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' HD11 ' A' ' 77' ' ' LEU . 17.0 tpt180 -155.18 133.36 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 74.23 110.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 21.3 tp -60.99 132.8 55.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 73.22 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 64.1 mt -98.71 162.67 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 70.43 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 p -153.04 110.97 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 75.35 110.412 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -138.57 167.0 22.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 65.33 109.291 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -71.04 -171.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 72.23 110.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' ARG . 36.1 m-20 -71.46 -55.52 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 53.2 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -50.62 -35.02 28.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 55.43 109.985 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.31 -32.47 26.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 72.21 110.273 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 65' ' ' LEU . 1.3 tm? -77.91 -13.0 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.44 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -90.05 -19.57 24.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 71.14 110.323 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -53.34 -20.48 4.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 71.24 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.02 -43.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 71.21 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 87' ' ' LEU . 4.5 mt -80.99 160.52 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 65.34 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.462 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 64.8 m-80 -122.79 100.71 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 73.23 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -87.36 -57.92 2.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 73.2 109.272 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.89 -82.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 70.31 111.058 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.5 t -112.72 -22.41 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 71.35 110.458 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -73.99 166.3 23.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.43 110.986 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -127.63 177.55 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.13 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 99' ' ' THR . 2.9 t -149.32 163.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 73.41 109.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.509 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 2.5 m -147.62 108.85 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 54.43 110.405 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 111' ' ' TYR . 14.4 tp -95.13 121.16 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.33 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 72.11 109.994 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.942 -0.392 . . . . 54.33 109.942 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 100' ' ' LEU . 2.3 t -137.63 140.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 74.25 109.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.432 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 2.6 m-85 -126.92 145.11 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 73.22 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 100' ' ' LEU . 26.9 m-85 -105.84 80.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 74.15 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 81.5 m-85 -68.74 116.05 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 75.04 110.977 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 137' ' ' TYR . 5.3 mt -74.24 132.79 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.43 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.96 113.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 65.12 109.34 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 8.7 t30 -142.3 93.84 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.34 109.309 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.42 -55.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 64.02 108.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 121' ' ' ASN . 7.1 m-20 -88.36 56.96 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 61.45 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.478 ' CG2' ' CG1' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -67.46 -32.87 74.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.12 110.389 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.23 -34.43 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.04 109.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.74 -10.56 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.42 109.259 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' ASP . 19.8 m-20 -83.67 -69.82 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 73.52 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 129' ' ' TYR . 9.8 p -95.38 -53.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.41 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.47 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 35.31 44.2 0.56 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 71.52 111.015 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 m -81.32 -78.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 75.43 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -162.85 139.31 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 71.52 109.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.63 -14.16 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 73.34 109.252 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.71 -67.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.2 110.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -118.09 47.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 75.21 109.602 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 3.8 t80 -75.07 -35.88 61.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 73.34 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.562 HD12 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -66.31 -26.8 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.44 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.1 p -83.44 -39.72 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 71.35 110.377 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -16.16 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 71.25 110.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.573 ' CH2' ' CD1' ' A' ' 61' ' ' ILE . 38.0 t90 -86.15 -29.47 23.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 73.34 108.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 138' ' ' ILE . 9.1 tp -87.39 -45.38 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 75.25 109.341 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.3 t -60.73 -28.13 68.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 72.44 110.008 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -81.5 -27.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.54 109.314 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -94.77 -12.19 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 70.44 110.984 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.544 HG12 ' CE2' ' A' ' 145' ' ' PHE . 3.7 tp -81.35 -17.73 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 74.21 109.352 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -75.32 -10.73 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 64.42 110.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 21.6 mt -89.49 -10.48 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 75.54 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CD1' HD13 ' A' ' 46' ' ' LEU . 97.9 m-85 -118.28 -29.91 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.51 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.553 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.2 121.08 8.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 71.44 109.34 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.462 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 4.2 mt -98.87 2.74 46.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 74.52 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -106.63 -16.87 14.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 72.4 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -107.8 111.03 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 73.55 110.999 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.29 102.32 45.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 73.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.473 ' CD ' HG21 ' A' ' 138' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 71.22 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.535 0.207 . . . . 71.24 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 1.5 tp -50.6 108.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.55 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.493 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.7 p -76.22 -166.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.21 110.385 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -76.0 -45.64 3.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 75.2 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -75.0 -8.45 20.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 75.51 110.99 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 4.9 mm-40 -88.16 -37.85 15.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 52.51 110.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -82.94 -31.28 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.43 111.015 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.525 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.2 t-20 -67.28 -15.55 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 73.35 109.277 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -76.15 -36.25 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 72.23 110.259 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -100.92 11.25 39.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.44 110.304 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -60.84 -46.45 96.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 73.41 109.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 72.11 110.969 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.0 m-20 -90.46 -34.49 15.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 64.03 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 54.7 t -69.52 -50.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 74.3 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HD2' ' CD2' ' A' ' 34' ' ' LEU . 10.0 ptm180 -66.42 -18.83 65.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.05 110.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 19' ' ' THR . 13.3 t -75.59 -36.34 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 73.32 109.979 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -87.03 -32.29 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.32 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 36' ' ' LEU . 11.4 mt -59.33 -22.07 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.42 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 16' ' ' SER . 59.9 p -51.56 -30.61 21.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 61.34 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.19 -33.79 76.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 55.13 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.632 ' CH2' ' CG2' ' A' ' 38' ' ' VAL . 4.3 t90 -52.19 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 74.2 107.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.14 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 73.23 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB2' ' NE1' ' A' ' 21' ' ' TRP . 2.0 mtpp -70.98 -20.65 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 72.52 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG1' HG12 ' A' ' 27' ' ' ILE . 10.5 t -75.46 125.41 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 72.55 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.23 -38.1 7.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.14 110.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -125.47 131.85 52.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 75.15 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.5 mm -114.72 103.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.14 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.12 155.38 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.4 110.298 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -116.01 156.08 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.32 109.249 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 17.3 m -132.67 175.21 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 72.4 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 13.3 mt-30 -72.01 93.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 73.04 110.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 80.33 44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.45 109.335 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 173.94 -171.18 44.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 62.04 111.036 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -148.13 137.95 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 0.814 . . . . 74.42 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.439 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -112.79 112.66 24.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 72.23 110.29 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -116.01 145.56 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 73.4 109.311 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.64 100.54 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.53 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.632 ' CG2' ' CH2' ' A' ' 21' ' ' TRP . 23.7 t -91.11 139.46 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 75.13 109.306 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 42' ' ' THR . 4.4 tpt180 -103.09 90.72 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.11 110.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 HD13 ' CB ' ' A' ' 46' ' ' LEU . 10.7 mp -70.76 -41.01 72.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 72.14 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -138.63 155.25 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 74.44 109.313 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 39' ' ' ARG . 1.2 m -59.65 -17.21 31.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 61.52 110.43 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 19.86 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 72.31 109.269 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 m -136.22 150.41 48.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.04 110.433 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 1.6 tm? -144.02 131.26 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 74.13 109.275 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 63' ' ' PHE . 2.0 tm? -118.04 103.94 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 73.52 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' PHE . 2.0 tt0 -79.29 109.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 74.51 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD22 ' CZ ' ' A' ' 141' ' ' PHE . 1.7 tm? -94.51 119.04 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 73.23 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 7.2 m170 -119.26 108.19 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 63.21 109.603 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.427 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -88.66 129.7 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 63.44 109.267 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 9.2 p90 -146.0 159.59 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.42 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CD1' HD21 ' A' ' 4' ' ' LEU . 2.7 t80 -103.49 149.7 24.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 75.02 110.95 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.46 ' OD1' ' CG2' ' A' ' 55' ' ' VAL . 65.5 t0 -121.74 132.64 54.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 72.33 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.446 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.4 OUTLIER -87.25 3.72 45.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 72.0 109.551 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.46 ' CG2' ' OD1' ' A' ' 53' ' ' ASP . 55.4 t -71.57 -47.88 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 74.24 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -117.22 1.02 12.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 75.33 111.023 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 62.44 51.57 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 72.35 109.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.64 167.58 13.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 64.15 109.342 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.03 170.26 20.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 75.34 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.564 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 16.6 t -148.5 171.33 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.24 109.975 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.608 ' CD1' ' CB ' ' A' ' 137' ' ' TYR . 33.2 mt -132.47 136.23 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 72.22 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 112' ' ' TYR . 21.8 tttt -149.03 131.51 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 74.1 109.247 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CD1' HD23 ' A' ' 46' ' ' LEU . 9.9 p90 -152.56 159.5 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 74.44 111.021 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.603 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -130.98 117.64 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 74.5 110.335 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' CD1' HD23 ' A' ' 82' ' ' LEU . 12.4 mt -58.21 145.28 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 70.22 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 95.6 m95 -131.83 151.0 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 75.43 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.46 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -124.82 97.76 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.22 109.99 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -67.19 126.24 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.24 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -119.21 112.38 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 71.11 109.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.61 36.52 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.11 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -38.02 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.42 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.09 -2.58 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 72.11 110.264 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 65.43 49.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.43 109.279 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.77 -8.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.35 109.297 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.1 t 79.83 45.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.4 109.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.13 177.01 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 71.13 109.959 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.49 165.95 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 52.4 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' LEU . 1.1 tpp85 -155.41 140.63 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 75.14 110.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 66' ' ' TRP . 13.6 tp -57.34 129.99 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 70.42 109.289 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 34.1 mt -93.17 162.5 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 74.24 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.6 p -154.76 109.32 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 72.41 110.391 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -139.54 166.92 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 71.14 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 m -62.35 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.42 109.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -47.0 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 70.1 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.89 -34.61 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 64.32 109.998 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.45 -33.13 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 71.14 110.276 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 91' ' ' LEU . 3.9 tp -76.99 -30.61 56.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 75.51 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -17.52 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 74.11 110.298 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 -21.06 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 74.41 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.29 -43.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 73.31 109.253 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 87' ' ' LEU . 6.0 mt -80.33 160.39 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 74.14 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -118.36 88.67 2.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 65.34 109.308 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.623 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -82.4 -56.97 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.12 109.297 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.07 -94.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 74.54 111.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -93.83 -24.51 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 73.21 110.415 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.47 -174.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.01 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 m -157.6 154.04 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 62.21 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.66 154.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 75.12 109.323 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -135.23 109.78 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.22 110.382 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 111' ' ' TYR . 31.5 tp -70.42 136.53 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 75.2 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 110' ' ' TYR . 2.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 74.22 109.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.028 -0.36 . . . . 71.3 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 100' ' ' LEU . 2.4 t -104.46 138.89 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.5 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.581 ' CD2' ' NZ ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -139.57 158.86 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 73.42 111.007 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' ' 100' ' ' LEU . 72.4 m-85 -109.56 118.53 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 74.51 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 62' ' ' LYS . 21.0 m-85 -97.56 117.94 32.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 74.44 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.578 HG22 ' CE2' ' A' ' 137' ' ' TYR . 34.8 mm -61.92 144.35 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.4 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.606 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -77.28 89.29 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 73.41 109.31 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 11.5 p-10 -113.31 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.34 109.23 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.0 p -117.35 -42.57 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.13 108.318 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ASN . 54.4 m-20 -92.85 25.53 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.3 109.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -54.72 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 73.31 110.404 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.06 -25.69 67.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 74.32 109.281 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.39 -12.2 46.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 74.12 109.277 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 117' ' ' ASP . 31.0 m120 -90.21 -69.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 74.34 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 129' ' ' TYR . 13.5 t -82.97 -64.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 73.43 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.39 26.53 7.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 71.42 111.009 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 t -64.78 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 74.12 109.994 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -166.11 133.56 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 65.24 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 2' ' ' LEU . 1.3 p -54.5 -20.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 73.15 109.312 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -45.5 -67.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 74.35 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.71 46.9 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.24 109.642 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 11.7 t80 -74.99 -32.7 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 71.1 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 134' ' ' ILE . 3.5 mm? -54.6 -28.25 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 72.45 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 45.7 p -88.56 -51.97 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 62.13 110.394 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 12.6 tpt180 -64.34 -15.21 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.4 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.527 ' CD2' ' HG2' ' A' ' 59' ' ' PRO . 47.2 t90 -89.69 -62.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.984 -1.117 . . . . 73.14 107.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 6.4 tp -50.59 -56.11 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 74.52 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 28.7 t -54.59 -16.35 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 63.12 110.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.469 ' CD2' ' CG2' ' A' ' 122' ' ' VAL . 1.4 tp -77.15 -56.55 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 62.11 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.608 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 81.3 m-85 -76.21 -14.78 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 73.42 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.466 HG22 ' CD ' ' A' ' 147' ' ' PRO . 2.0 tp -60.5 -31.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 74.33 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -69.51 -6.48 30.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 74.34 110.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.462 ' CG2' HD23 ' A' ' 93' ' ' LEU . 19.8 mt -92.89 -10.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.24 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.5 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 96.1 m-85 -115.54 -37.23 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.13 111.035 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.429 ' OD2' ' CB ' ' A' ' 145' ' ' PHE . 56.0 t0 -148.29 117.85 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 72.23 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.09 2.67 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.2 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.79 -15.64 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 61.43 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.4 t80 -107.75 108.45 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.32 111.003 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.25 97.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 72.23 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 74.33 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.497 0.189 . . . . 71.54 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 12.1 tp -55.64 106.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.04 109.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 69.7 p -74.89 -168.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.13 110.406 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -76.0 -45.84 3.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 72.02 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -8.39 20.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 74.42 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -88.41 -37.13 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.22 110.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CE2' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -87.42 -33.0 19.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 74.34 111.009 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE2' ' A' ' 7' ' ' TYR . 5.4 m-20 -71.21 -15.43 62.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 73.23 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.41 -23.61 61.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.15 110.349 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 20.6 mt-30 -112.57 18.02 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 70.13 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -59.96 -44.53 97.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.2 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 74.33 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 2.3 m-20 -94.05 -33.76 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 73.32 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 37.2 t -74.44 -53.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 74.02 109.305 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' CG2' ' A' ' 19' ' ' THR . 7.7 ptm180 -64.1 -18.73 64.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.34 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 10.4 t -74.19 -40.96 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.12 109.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.4 pp -82.6 -33.19 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.52 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 13.2 mt -54.7 -33.05 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 71.04 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 63.1 p -48.14 -23.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 74.35 110.416 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 63.9 mmtt -70.36 -40.71 73.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 74.5 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.628 ' CZ3' ' CD1' ' A' ' 138' ' ' ILE . 2.6 t90 -49.33 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 74.22 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . -65.11 -13.79 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 75.14 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 1.2 mtpp -77.82 -26.14 49.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 74.34 109.33 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 25.1 t -66.93 124.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 73.42 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -109.14 -26.22 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 64.32 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -126.49 150.4 48.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 74.11 110.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -137.51 114.36 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.31 109.298 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 14.9 tt0 -142.23 150.92 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 74.33 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.29 154.14 28.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.23 109.26 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 34' ' ' LEU . 2.7 m -134.24 162.59 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.13 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.3 tt0 -57.28 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 72.53 110.268 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER 76.35 57.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 71.44 109.297 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.36 -165.63 37.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 70.14 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -159.57 148.13 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 73.13 109.294 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.468 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.7 tm0? -131.02 111.32 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.43 110.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.16 168.83 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.33 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.401 ' CG ' ' OE1' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -124.37 95.39 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 72.52 109.329 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 3.3 t -86.77 129.86 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.11 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.44 78.68 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 74.15 110.306 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 13.2 mt -56.31 -38.83 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 74.42 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -142.31 158.54 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 73.11 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -60.41 -14.56 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 75.11 110.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.15 21.92 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 73.31 109.318 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 28.0 m -135.47 152.5 51.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 74.11 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -134.46 142.93 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.45 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 46' ' ' LEU . 1.1 tm? -123.02 104.71 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.15 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 1.2 tp10 -86.11 91.17 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 73.05 110.253 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 2.9 tm? -80.73 119.74 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 72.32 109.281 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.413 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 5.1 m170 -117.04 117.67 30.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 73.11 109.606 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 3.4 tt -97.11 126.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 73.03 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 18.1 p90 -145.36 154.77 42.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 72.23 110.958 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CG ' HD23 ' A' ' 4' ' ' LEU . 52.9 t80 -95.35 158.14 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.22 110.97 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -137.23 112.36 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.03 109.313 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.436 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 4.2 m-70 -71.63 -7.03 45.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.44 109.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 56' ' ' TYR . 54.0 t -58.79 -44.48 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 73.12 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.467 ' CD1' HG13 ' A' ' 55' ' ' VAL . 25.2 m-85 -121.63 -0.76 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 75.41 110.97 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 62.86 60.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 75.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.71 164.41 15.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 72.31 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.93 161.26 39.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 71.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.592 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 3.5 p -141.42 170.87 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 71.54 110.003 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 137' ' ' TYR . 12.8 mt -131.41 146.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 75.12 109.31 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 12.6 ttpt -155.54 117.15 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 75.21 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.514 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 39.7 p90 -136.28 163.11 31.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 64.24 110.944 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.604 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.5 mtm180 -138.1 122.14 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.11 110.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 47.4 mt -61.41 138.11 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.35 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.9 m95 -131.04 155.51 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.97 -1.122 . . . . 74.1 107.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -127.64 97.83 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 52.44 109.993 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.76 124.48 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 75.04 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -121.72 112.84 18.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 73.42 109.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.55 30.01 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 70.33 110.43 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -42.54 -42.82 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 74.23 110.326 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.0 mt-10 -104.33 -14.65 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.31 110.31 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER 81.86 50.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.24 109.337 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.02 -0.3 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.4 109.319 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 t 69.17 45.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 75.3 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.99 175.74 9.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 72.2 110.004 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 2.8 pp -167.48 161.62 13.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 64.44 109.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' N ' HD11 ' A' ' 77' ' ' LEU . 48.6 ttm-85 -155.33 133.08 11.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.12 110.285 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 14.1 tp -52.3 138.59 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 75.41 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 64.2 mt -105.03 141.2 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 75.5 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -132.57 90.92 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 71.01 110.391 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -117.19 167.18 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.43 109.313 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -56.7 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 71.04 109.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.33 -38.88 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 65.34 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.27 -38.12 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 73.11 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.66 -38.29 80.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 74.42 110.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -68.79 -47.33 66.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.35 109.341 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 92' ' ' ASN . 1.5 tpt180 -49.27 -22.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 75.44 110.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.57 -34.81 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 64.41 110.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.77 -42.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.3 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mt -76.66 -178.41 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.22 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.467 ' HA ' ' CD ' ' A' ' 88' ' ' ARG . 54.4 m-80 -154.1 102.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.21 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -88.99 -58.75 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 74.23 109.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 56.03 -84.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 64.02 111.053 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.3 t -115.1 19.39 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 73.23 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -113.52 -172.03 2.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 75.1 110.982 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -148.29 169.85 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.45 109.977 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.83 170.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 72.04 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' TYR . 3.3 m -141.04 117.85 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.2 110.408 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 111' ' ' TYR . 36.4 tp -110.73 122.49 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.54 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.41 109.955 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.0 -0.371 . . . . 74.34 110.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.449 ' HB ' ' CD2' ' A' ' 79' ' ' LEU . 14.3 t -142.43 143.36 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 73.31 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 1.1 m-85 -136.31 154.49 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 73.22 110.97 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CE2' HD11 ' A' ' 100' ' ' LEU . 12.9 m-85 -115.65 77.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 73.02 111.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 98.1 m-85 -67.57 110.28 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.41 111.018 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 141' ' ' PHE . 5.8 mt -74.42 138.65 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.12 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.15 112.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.32 109.291 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 60' ' ' SER . 3.9 p-10 -133.78 21.33 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 71.33 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.37 -46.3 49.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.31 108.311 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 121' ' ' ASN . 9.4 m-20 -96.03 54.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 73.41 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.9 m -58.46 -50.18 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 74.13 110.418 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -62.5 -28.71 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.33 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 117' ' ' ASP . . . -86.8 -15.38 39.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.23 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 117' ' ' ASP . 20.2 m-20 -83.57 -54.26 5.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.15 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.2 p -121.77 -54.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 63.22 109.341 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 37.72 35.4 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 52.3 110.939 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 t -68.42 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 72.45 110.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.92 143.34 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 74.05 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 2' ' ' LEU . 58.8 t -63.78 -13.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.51 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 12.2 mt-10 -65.45 -67.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.24 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 46.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.03 109.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -79.28 -38.27 35.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 75.03 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 2.3 mm? -71.77 -21.52 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 73.43 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 p -87.0 -45.18 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 51.44 110.414 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.5 tpt180 -73.7 -50.99 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.02 110.256 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.663 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 77.5 t90 -47.49 -57.39 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 73.31 107.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' A' ' 14' ' ' VAL . 7.6 tp -60.7 -53.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.22 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 134' ' ' ILE . 35.7 t -54.94 -15.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.42 110.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -90.93 -74.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 73.53 109.259 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.663 ' CE1' ' NE1' ' A' ' 133' ' ' TRP . 28.3 m-85 -47.87 -41.31 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 72.34 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.628 ' CD1' ' CZ3' ' A' ' 21' ' ' TRP . 8.7 tp -50.11 -37.11 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 73.42 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -59.09 -32.17 69.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 74.01 110.324 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 92' ' ' ASN . 59.7 mt -66.22 -10.05 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 64.32 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.423 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 5.7 m-85 -112.57 -38.72 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 75.35 111.023 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 9.8 t70 -147.76 107.68 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 72.31 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.0 mt -83.92 3.32 34.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.43 109.312 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.98 -9.84 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 74.51 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.81 104.65 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 73.32 110.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.67 103.61 53.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.43 109.267 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.433 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 74.2 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.514 0.197 . . . . 73.23 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -50.57 113.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 75.12 109.338 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.518 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 27.4 p -71.87 -162.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 62.12 110.372 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.6 tm? -75.92 -45.07 3.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 74.03 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.0 -6.68 18.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 64.25 110.978 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' N ' ' A' ' 3' ' ' THR . 30.1 mt-10 -89.12 -38.71 14.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.25 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.51 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -78.53 -32.09 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.01 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.48 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -68.71 -20.57 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 73.14 109.318 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.53 -25.88 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 74.53 110.287 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.439 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -117.25 22.22 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 65.11 110.266 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -67.33 -45.89 49.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.53 109.249 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.02 0.17 9.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 64.11 110.996 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -89.1 -31.66 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.23 109.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.446 HG12 ' CD1' ' A' ' 134' ' ' ILE . 36.3 t -78.25 -52.06 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.34 109.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.1 ptt85 -63.31 -18.16 63.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 73.11 110.255 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 14.0 t -77.58 -41.13 39.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 74.22 110.004 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 147' ' ' PRO . 2.0 pp -83.45 -25.42 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.52 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 36' ' ' LEU . 12.8 mt -63.52 -24.45 67.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 74.31 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 16' ' ' SER . 79.8 p -53.75 -25.1 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 75.22 110.407 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.86 -33.36 75.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 73.34 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -54.19 125.06 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.1 108.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.21 -12.47 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 64.43 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 17.9 mtpt -80.0 -26.35 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 65.23 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.401 ' CG1' HG12 ' A' ' 27' ' ' ILE . 49.0 t -68.71 126.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.43 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' CD ' ' CG ' ' A' ' 39' ' ' ARG . 3.4 mt-10 -107.54 -34.87 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 74.32 110.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -124.88 133.58 53.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 74.3 110.352 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.401 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.0 mm -120.83 105.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 63.15 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.38 145.27 50.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 75.35 110.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.44 157.88 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.31 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.41 160.05 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 71.23 109.242 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 3.7 tt0 -57.54 90.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 73.35 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER 81.35 55.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 75.14 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.36 -169.92 39.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 75.2 110.981 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -157.56 139.75 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 72.23 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -121.81 113.01 19.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.3 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.32 147.92 43.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.53 109.292 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -108.75 95.12 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 74.23 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 23' ' ' LYS . 4.1 t -88.74 127.97 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 64.34 109.35 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' CG ' ' CD ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -90.03 79.79 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.54 110.256 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 46' ' ' LEU . 6.1 mp -58.39 -32.12 68.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.44 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.4 ttmt -149.62 154.73 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 73.44 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -59.61 -15.02 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.34 110.38 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.33 15.24 6.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.21 109.289 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 8.0 m -135.9 137.37 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.44 110.41 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -129.86 133.06 46.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.13 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.7 tm? -110.97 108.83 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 65.41 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.555 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.8 tt0 -87.29 96.3 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 64.23 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.635 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 2.4 tt -88.98 131.03 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 72.45 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.555 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -133.32 111.81 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.03 109.623 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.1 tt -85.77 130.17 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 72.21 109.3 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.4 p90 -144.42 128.94 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 71.24 110.96 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.552 ' CD2' HD23 ' A' ' 4' ' ' LEU . 84.1 t80 -71.57 150.65 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 74.31 111.029 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' CG2' ' A' ' 55' ' ' VAL . 42.0 t0 -127.86 126.64 41.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 53.25 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -81.65 3.66 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 75.52 109.622 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 ' CG2' ' OD1' ' A' ' 53' ' ' ASP . 77.3 t -67.23 -47.56 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.04 109.298 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 116' ' ' CYS . 42.2 m-85 -122.77 2.76 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.24 110.976 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 64.82 47.49 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 74.42 109.636 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.2 164.06 23.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 73.44 109.335 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.95 37.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 61.24 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 2.1 m -114.97 172.68 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 53.4 109.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' A' ' 137' ' ' TYR . 9.5 mt -137.75 127.31 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 72.33 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.07 118.83 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.45 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 28.9 p90 -129.77 162.74 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.51 110.955 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 7.4 mtp180 -139.88 121.89 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 74.41 110.312 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.2 138.85 54.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 74.24 109.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.476 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 94.4 m95 -127.62 162.87 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.04 108.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.468 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -133.63 97.74 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 62.21 109.957 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 HD11 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.6 125.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 74.04 109.265 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -122.63 113.09 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 73.34 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.32 29.55 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.45 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -42.82 -43.18 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.43 110.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.2 mt-10 -103.43 -14.84 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 75.1 110.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.48 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 73.33 109.279 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.67 2.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 74.13 109.284 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t 67.46 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 75.4 109.971 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.68 175.28 10.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.43 109.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.2 pp -166.88 164.28 16.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.118 . . . . 75.52 109.294 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 1.6 tpm_? -155.36 140.59 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 75.32 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 14.4 tp -58.21 138.55 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 62.24 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 61.4 mt -104.88 154.77 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 74.34 109.269 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -149.33 119.92 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 72.45 110.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -143.86 165.04 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 74.52 109.314 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -57.24 -171.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 63.11 109.955 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -47.39 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 65.41 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -66.28 -34.28 77.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 73.45 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.97 -35.14 74.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.13 110.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 91' ' ' LEU . 1.3 tt -73.64 -51.91 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.03 109.245 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -24.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 73.22 110.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -45.28 -25.85 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.31 110.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.1 -42.79 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 73.44 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.525 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 28.9 mt -75.23 178.88 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.21 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -140.58 95.66 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.43 109.32 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.632 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.61 -58.07 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 75.33 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.88 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 71.22 111.035 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LEU . 3.5 t -113.25 -21.04 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 73.41 110.363 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.11 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 74.04 111.007 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.16 168.99 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.25 110.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.5 p -153.41 171.42 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 75.13 109.328 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -146.38 110.3 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 64.54 110.375 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 111' ' ' TYR . 19.1 tp -98.67 122.75 42.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 71.14 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 72.11 109.991 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.961 -0.385 . . . . 72.45 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 100' ' ' LEU . 2.3 t -144.12 141.58 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 74.55 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -132.66 151.55 51.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 72.42 110.991 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 51.6 m-85 -108.4 79.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.4 110.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 96.1 m-85 -68.96 114.78 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 73.01 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.0 mt -77.69 140.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 73.31 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.469 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -60.36 114.17 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 75.34 109.249 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 4.5 p-10 -145.82 28.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 75.12 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 16.8 p -76.18 -46.48 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 75.32 108.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' ALA . 4.9 m-20 -96.99 42.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.22 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.6 m -45.5 -25.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.12 110.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.93 -43.54 74.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 73.44 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' ASP . . . -81.68 -10.82 59.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.03 109.334 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.584 ' N ' HD21 ' A' ' 121' ' ' ASN . 0.9 OUTLIER -74.5 -69.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 64.44 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 129' ' ' TYR . 4.8 p -103.65 -50.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 73.12 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.473 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 36.97 48.43 1.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 70.32 111.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.4 ' CB ' ' HG2' ' A' ' 132' ' ' ARG . 7.6 p -91.86 -75.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 73.42 109.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -151.78 124.88 8.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 74.54 109.283 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -53.69 -28.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 72.53 109.296 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -68.41 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 74.41 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -95.22 46.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.23 109.626 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.0 t80 -84.33 -33.66 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 73.12 110.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 7' ' ' TYR . 4.3 mm? -67.06 -28.22 68.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 73.43 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p -86.55 -34.92 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 72.12 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' CB ' ' A' ' 124' ' ' SER . 9.9 tpt180 -85.35 -16.45 39.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 75.22 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.495 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 78.6 t90 -87.18 -47.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.013 -1.106 . . . . 72.44 108.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 137' ' ' TYR . 5.8 tp -56.54 -47.9 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.32 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.435 ' OG ' ' CG ' ' A' ' 147' ' ' PRO . 3.5 t -73.12 -0.34 13.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.35 109.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.459 ' CD1' ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.99 -41.32 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 74.44 109.276 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.662 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -94.0 -47.39 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 73.21 111.025 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.614 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 6.9 tp -44.5 -26.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.3 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 137' ' ' TYR . 47.0 mtp180 -64.28 -43.54 94.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 75.2 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 137' ' ' TYR . 73.9 mt -57.47 -15.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.31 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.635 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 5.2 m-85 -106.32 -34.84 7.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 74.41 110.963 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -148.48 108.69 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 73.24 109.325 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.6 mt -87.9 3.64 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 73.42 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -108.5 -16.17 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 73.2 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -79.13 110.31 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.25 110.982 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.54 116.31 57.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 73.04 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 73.01 111.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.516 0.198 . . . . 63.31 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 17.0 tp -68.7 114.69 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 75.04 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 66.0 p -79.79 -172.83 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.23 110.42 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.615 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.7 OUTLIER -76.46 -45.43 3.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 73.24 109.299 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.07 -8.43 19.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 75.34 110.947 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 11.2 mm-40 -88.28 -39.35 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 75.44 110.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.57 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -86.15 -35.02 20.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 70.15 110.956 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 17.4 t-20 -64.39 -17.82 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 75.31 109.319 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -74.16 -27.17 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 72.15 110.334 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.1 mt-30 -109.39 12.45 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 74.44 110.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER -60.56 -46.62 97.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 72.22 109.358 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.512 1.796 . . . . 74.55 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.7 m-20 -93.23 -34.29 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.12 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 90.7 t -75.71 -39.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 74.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' CD ' HD23 ' A' ' 34' ' ' LEU . 40.9 ptt85 -73.82 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.33 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 19' ' ' THR . 30.0 t -73.14 -46.39 51.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.51 110.015 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 18' ' ' LEU . 4.6 pp -74.24 -26.76 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 74.43 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 1.7 mm? -58.67 -31.15 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 75.33 109.347 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 16' ' ' SER . 27.2 p -61.62 -13.42 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 63.33 110.381 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -82.82 -23.58 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 74.54 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.557 ' CE3' HG21 ' A' ' 24' ' ' VAL . 1.9 t90 -61.18 128.31 35.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.33 108.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -15.67 37.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 70.23 109.305 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' NZ ' HD21 ' A' ' 40' ' ' LEU . 1.4 mtpm? -85.2 -26.2 26.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.12 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CE3' ' A' ' 21' ' ' TRP . 35.5 t -69.11 113.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.23 109.328 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.24 -40.43 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.23 110.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 27' ' ' ILE . 22.3 ttt85 -124.96 156.57 37.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 73.32 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.466 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.2 mm -141.17 109.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 74.52 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ASP . 12.4 tt0 -127.69 161.48 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 75.53 110.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 4.5 p30 -118.2 161.96 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 73.34 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 2.5 m -139.46 179.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.1 109.267 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 6.7 tt0 -76.38 93.69 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.43 110.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 2.0 t70 80.6 45.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 72.12 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 50' ' ' ILE . . . 170.26 -171.83 43.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 70.54 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -149.87 149.99 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 74.32 109.313 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tm0? -126.4 116.37 21.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 74.41 110.256 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -121.29 146.67 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 72.11 109.286 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.89 95.22 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.12 109.314 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' CG1' ' CD2' ' A' ' 40' ' ' LEU . 96.0 t -82.78 106.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.42 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.51 110.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.558 ' CD2' ' CG1' ' A' ' 38' ' ' VAL . 1.2 mm? -57.69 -28.45 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 73.31 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 44' ' ' THR . 4.7 ttmm -153.09 163.75 39.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.42 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -63.05 -12.12 24.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 72.33 110.378 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.7 10.54 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 74.51 109.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 41' ' ' LYS . 36.2 m -123.48 126.67 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 73.21 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 1.5 tm? -112.83 134.47 54.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 72.34 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD22 ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -125.75 106.09 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 73.4 109.306 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 21.6 mt-10 -81.89 112.43 19.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 74.54 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 1.9 tm? -96.58 122.23 39.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 75.21 109.256 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 11.2 m170 -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 73.42 109.611 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -122.98 122.24 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 63.44 109.252 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -142.12 174.01 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.43 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -104.84 146.64 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 75.23 111.034 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -115.38 111.77 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.41 109.284 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -81.02 3.54 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 73.11 109.618 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 56' ' ' TYR . 13.1 m -81.88 -37.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 74.42 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.424 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 36.4 m-85 -122.61 -1.91 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.51 111.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 63.12 50.69 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 72.42 109.537 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -153.46 163.58 23.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 73.35 109.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.98 160.48 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 65.33 111.06 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 33.5 t -136.82 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.24 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.534 HD12 ' CZ2' ' A' ' 133' ' ' TRP . 10.9 mt -137.61 131.23 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 72.31 109.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -144.01 134.53 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.31 109.322 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 17.3 p90 -148.57 159.98 43.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 71.45 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.573 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -131.87 113.17 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.42 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.7 mt -53.42 141.1 25.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.41 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.593 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 96.3 m95 -124.12 160.82 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.33 108.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.86 97.7 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 72.12 109.961 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.47 125.44 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.23 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -122.51 112.62 18.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.22 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.49 34.57 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 64.33 110.384 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.79 -44.83 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 75.31 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -103.56 -12.15 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 72.03 110.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.6 t70 81.28 51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.2 109.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 1.32 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 74.31 109.335 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 t 66.7 47.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 75.41 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -87.18 175.45 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 72.44 109.992 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -167.57 166.08 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.11 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -155.38 139.61 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 73.03 110.365 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.593 HD13 ' CZ2' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -64.67 131.14 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.2 109.344 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 38.0 mt -98.99 156.04 17.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.45 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.514 ' CG2' ' CG2' ' A' ' 109' ' ' VAL . 1.6 p -141.8 98.32 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 73.14 110.435 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -129.53 167.71 17.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.43 109.308 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -72.68 -168.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 75.02 110.008 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' LEU . 8.5 m-20 -72.29 -54.83 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.3 109.297 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 m -38.76 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 74.25 110.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 89' ' ' SER . 1.3 mt-10 -89.38 -44.19 10.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 65.11 110.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 93' ' ' LEU . 7.7 tt -58.38 -56.25 24.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 71.03 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -55.17 -17.8 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 70.43 110.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.3 t -57.51 -28.03 63.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 64.3 109.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 89' ' ' SER . 0.0 OUTLIER -120.2 -40.14 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.32 109.334 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 5.4 mt -83.71 160.75 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.23 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -117.54 99.12 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 72.2 109.363 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -88.6 -57.76 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 74.52 109.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.73 -93.72 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 64.41 110.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 t -103.27 -14.96 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 71.42 110.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -75.21 172.23 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 74.34 111.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -138.21 162.23 34.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 70.13 110.014 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 99' ' ' THR . 3.1 t -138.88 161.2 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 74.22 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 8.8 m -131.83 102.93 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 74.01 110.389 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.527 HD13 ' CE1' ' A' ' 111' ' ' TYR . 36.9 tp -88.18 122.91 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 73.1 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 74.01 110.003 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.025 -0.361 . . . . 65.11 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.514 ' CG2' ' CG2' ' A' ' 81' ' ' THR . 2.0 t -141.29 132.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.44 109.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 0.2 OUTLIER -118.05 154.33 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 73.12 110.997 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.527 ' CE1' HD13 ' A' ' 100' ' ' LEU . 65.2 m-85 -112.81 82.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.01 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 90.3 m-85 -73.83 109.38 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 72.43 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.548 HG22 ' CE1' ' A' ' 137' ' ' TYR . 5.9 mt -60.2 142.37 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.1 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.47 107.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 75.42 109.322 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 9.3 t30 -136.55 92.7 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 75.12 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.06 -55.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 62.14 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 3.1 m-20 -108.43 75.13 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 74.11 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' VAL . 2.3 m -83.14 -58.55 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 63.4 110.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -50.53 -26.38 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 75.41 109.326 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.71 -28.45 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 72.1 109.309 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 1.0 OUTLIER -86.76 -70.13 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.34 109.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 136' ' ' LEU . 57.8 t -62.83 -65.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 73.21 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.09 -23.27 15.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 55.23 110.97 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.52 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 50.1 m -38.02 140.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 53.42 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.5 174.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 73.2 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 23.9 t -84.69 -8.19 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 71.41 109.316 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.52 -67.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.41 110.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -112.79 47.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 75.4 109.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.52 ' CD1' ' O ' ' A' ' 124' ' ' SER . 4.6 t80 -75.92 -43.21 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 72.51 110.961 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.48 HD12 ' CD2' ' A' ' 7' ' ' TYR . 2.5 mm? -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 64.33 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.1 p -89.47 -51.16 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 71.41 110.43 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -16.96 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 74.51 110.297 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.57 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 65.4 t90 -83.61 -61.8 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.977 -1.119 . . . . 63.51 107.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 138' ' ' ILE . 2.5 tp -56.42 -55.31 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 74.35 109.361 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.454 ' OG ' ' CG ' ' A' ' 147' ' ' PRO . 30.2 t -55.3 -17.33 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 73.24 109.96 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 122' ' ' VAL . 2.6 tt -91.97 -34.37 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.22 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.57 ' CE2' ' NE1' ' A' ' 133' ' ' TRP . 11.4 m-85 -94.32 -2.4 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 75.31 111.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 134' ' ' ILE . 5.0 tp -84.4 -20.57 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 75.53 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -68.64 -7.39 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.42 110.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.1 mt -88.98 -10.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 74.45 109.316 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 69.9 m-85 -119.58 -32.52 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.41 111.029 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 12.6 t0 -147.11 121.73 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 73.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.6 mt -98.16 3.1 49.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 74.3 109.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.84 -11.99 12.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 60.44 109.319 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.491 ' CE2' HG12 ' A' ' 138' ' ' ILE . 28.9 t80 -72.34 113.0 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 72.43 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.52 109.66 61.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 73.41 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.454 ' CG ' ' OG ' ' A' ' 135' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.462 1.769 . . . . 74.41 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.477 0.179 . . . . 75.24 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 10.2 tp -49.98 101.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.5 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 62.9 p -75.02 -165.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 74.11 110.407 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.627 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.3 tm? -76.85 -45.47 3.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 75.4 109.277 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.99 -10.26 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 71.22 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.467 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 13.6 mm-40 -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 72.32 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HB2' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -87.28 -20.26 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 74.03 110.976 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 3.6 m-20 -78.02 -15.07 59.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 72.03 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.51 -32.01 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 72.43 110.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -100.93 11.45 39.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 75.21 110.339 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -58.48 -45.58 99.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.35 109.301 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.93 0.26 9.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 72.03 111.035 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.76 -35.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.31 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 25.2 t -75.57 -48.0 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 74.12 109.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 3.8 ptm180 -65.9 -18.91 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 73.02 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' OG1' ' A' ' 19' ' ' THR . 27.4 t -74.93 -46.6 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.13 110.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -77.84 -24.69 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.12 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -59.28 -18.21 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 73.13 109.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 16' ' ' SER . 70.4 p -67.25 -9.82 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 71.24 110.366 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -81.9 -14.6 55.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 74.34 109.247 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.609 ' CZ3' ' CG2' ' A' ' 38' ' ' VAL . 1.6 t90 -75.03 128.56 35.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.22 107.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.16 -15.02 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 73.1 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.62 -13.42 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 75.41 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.535 HG21 ' CE3' ' A' ' 21' ' ' TRP . 24.2 t -73.97 128.04 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 74.51 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -110.69 -28.08 8.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 71.42 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -131.64 141.28 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 70.51 110.276 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -130.2 104.8 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 63.43 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.96 139.32 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 73.1 110.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -99.54 163.84 12.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 72.13 109.267 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.454 HG21 ' CA ' ' A' ' 34' ' ' LEU . 34.3 m -140.76 165.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.14 109.336 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -90.73 31.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 75.14 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -164.76 30.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.12 109.298 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.92 -120.31 2.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 75.11 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -163.21 150.43 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 72.03 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.469 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.3 tm0? -131.78 109.68 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 70.43 110.29 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.21 170.32 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 75.12 109.298 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 70.2 m-20 -129.08 94.89 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.32 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.609 ' CG2' ' CZ3' ' A' ' 21' ' ' TRP . 9.0 t -85.67 148.53 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.23 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.15 79.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 75.34 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 90' ' ' ILE . 22.4 mt -53.15 -42.39 66.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.34 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 5.2 ttmm -136.46 156.69 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 75.21 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.53 -16.96 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 71.3 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.03 17.92 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 73.11 109.302 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.446 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 27.4 m -132.3 148.1 52.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 73.43 110.405 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -128.78 136.29 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 73.13 109.281 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -116.22 97.65 6.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.44 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.541 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.2 tt0 -78.19 101.5 7.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.34 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.624 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -94.93 130.79 41.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.21 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.97 113.81 13.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 74.24 109.673 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 8.8 tt -87.33 135.02 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 75.44 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.0 p90 -153.4 133.08 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.51 110.97 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -83.04 154.13 24.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 75.53 110.982 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 48.4 t0 -116.15 137.62 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 72.53 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -88.29 3.89 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.12 109.577 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG13 ' CD2' ' A' ' 56' ' ' TYR . 19.1 t -86.47 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 73.34 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 55' ' ' VAL . 75.7 m-85 -91.01 -11.83 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 74.41 110.967 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 39.0 m-70 65.53 43.39 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.03 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -147.76 167.42 13.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 72.34 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.41 41.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.791 . . . . 75.02 111.009 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -126.12 173.52 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 70.01 110.01 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.558 ' CD1' ' CG ' ' A' ' 137' ' ' TYR . 12.2 mt -138.01 127.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.23 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 122.53 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.33 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CD1' HD21 ' A' ' 46' ' ' LEU . 54.9 p90 -138.34 152.9 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 73.22 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.0 mtm180 -121.54 121.25 37.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 73.35 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 34.5 mt -65.47 143.8 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 71.44 109.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 91.5 m95 -137.8 155.91 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.02 107.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.456 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -127.2 97.57 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 74.23 109.976 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.2 123.19 20.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.21 109.332 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -119.88 110.48 16.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 75.22 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.77 33.4 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 74.43 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -44.32 -43.38 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 72.13 110.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -104.17 -12.99 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.41 110.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER 81.71 52.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 75.54 109.274 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.65 -5.01 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 73.11 109.28 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t 73.82 41.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.44 110.012 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -78.92 175.08 10.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 74.12 110.037 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.5 pp -168.34 162.6 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.53 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -155.47 130.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 72.24 110.322 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' A' ' 66' ' ' TRP . 17.2 tp -49.53 134.04 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 74.44 109.286 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 36.7 mt -100.02 162.32 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 75.43 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -159.45 112.76 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 73.42 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -143.05 166.99 23.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 74.04 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -55.88 -173.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 72.11 109.99 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -80.58 -38.47 29.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 65.55 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -70.45 -32.81 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.31 109.997 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.35 -32.16 62.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 73.14 110.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 65' ' ' LEU . 8.1 tp -82.55 -33.55 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 73.1 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -54.53 -19.92 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 73.44 110.274 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -55.1 -23.91 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 74.54 110.037 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -116.12 -37.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 72.3 109.292 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.422 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 27.5 mt -84.66 177.86 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 75.44 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.0 m-80 -145.39 97.61 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.31 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.626 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.7 -58.32 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 75.43 109.312 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.62 -82.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 73.2 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LEU . 1.2 t -110.44 -23.23 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 73.35 110.427 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.63 -169.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.33 111.021 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -149.48 167.11 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 73.51 109.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 p -151.44 156.74 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 74.13 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -134.79 123.04 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.13 110.401 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.516 ' CD1' ' CE2' ' A' ' 111' ' ' TYR . 4.8 tt -92.22 135.79 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 74.34 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.477 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 26.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 71.13 110.004 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.958 -0.386 . . . . 72.14 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.9 t -149.16 159.45 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 74.44 109.28 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -152.62 168.62 25.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 75.2 110.997 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.516 ' CE2' ' CD1' ' A' ' 100' ' ' LEU . 74.1 m-85 -122.6 111.96 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.1 111.034 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -90.85 110.83 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 74.42 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.432 HD12 ' CZ ' ' A' ' 141' ' ' PHE . 3.6 mt -74.38 142.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.03 109.291 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.482 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -59.79 113.12 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 62.32 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -134.56 27.86 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 71.52 109.344 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.55 -37.89 13.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.33 108.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.27 38.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 73.21 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' VAL . 3.6 m -82.99 -56.86 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 52.04 110.412 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -50.8 -26.2 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.41 109.282 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.73 -28.4 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 71.12 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 118' ' ' THR . 36.1 m-20 -86.47 -69.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.15 109.284 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 129' ' ' TYR . 1.3 p -63.75 -49.59 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 70.51 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 126.65 -163.9 20.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 73.3 111.044 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' VAL . 64.0 p -109.34 -23.07 11.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 65.22 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 73.1 109.258 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 124' ' ' SER . 1.7 p -77.02 -7.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.14 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -50.6 -67.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 71.43 110.27 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.3 m-70 -125.95 46.73 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.52 109.596 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 4.0 t80 -70.09 -37.15 75.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 74.33 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 10' ' ' GLN . 3.7 mm? -66.7 -27.9 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 73.12 109.258 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.4 -32.02 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 71.43 110.377 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 128' ' ' HIS . 28.6 mtt180 -86.43 -16.27 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 75.04 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 83.5 t90 -88.38 -46.29 9.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.989 -1.115 . . . . 71.53 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 137' ' ' TYR . 7.5 tp -56.17 -50.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 75.44 109.334 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.6 t -71.46 -1.35 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 75.44 110.001 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.57 -42.91 7.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 70.51 109.339 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -91.55 -47.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.11 110.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.593 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 7.3 tp -44.51 -31.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 72.43 109.295 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.61 -42.1 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 73.24 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 65.6 mt -58.9 -14.29 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 73.3 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 7.2 m-85 -108.85 -32.68 7.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 73.52 111.001 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.514 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -148.76 107.17 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.21 109.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -86.95 2.71 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 64.14 109.299 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -112.36 -16.27 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 74.01 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -72.64 112.4 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.32 111.016 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 116.58 56.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.03 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.459 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 73.04 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.505 0.193 . . . . 73.34 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 11.4 tp -51.83 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 74.34 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.487 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 81.1 p -74.83 -170.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 73.05 110.392 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -75.34 -46.05 4.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 72.4 109.285 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.01 -7.5 19.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 74.11 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -88.59 -38.57 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -87.5 -36.49 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 72.23 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.584 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.1 t-20 -65.93 -17.37 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 74.25 109.271 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -74.4 -24.11 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.41 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.446 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.9 mt-30 -115.27 16.39 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 65.12 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -62.33 -46.56 90.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 72.25 109.332 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 75.34 110.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.83 -34.04 15.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 71.34 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.53 ' CG1' ' CD1' ' A' ' 134' ' ' ILE . 69.3 t -74.88 -46.73 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 75.03 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 20.6 ptt180 -67.48 -19.15 65.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 65.54 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' THR . 14.4 t -68.24 -62.32 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 74.02 110.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.0 pp -61.15 -24.22 66.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.42 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -55.34 -24.24 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.15 109.282 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 16' ' ' SER . 63.3 p -55.97 -17.44 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 74.5 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 26.5 mmmt -78.24 -37.89 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 75.21 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 138' ' ' ILE . 1.2 t90 -52.59 112.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 74.34 107.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.35 48.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 65.14 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -77.47 -24.65 50.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.33 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' A' ' 21' ' ' TRP . 22.5 t -68.88 111.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 72.44 109.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -98.13 -21.77 16.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 50.34 110.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.42 145.16 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.25 110.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -132.84 112.51 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.14 109.317 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 29' ' ' ASP . 7.9 tt0 -146.97 156.57 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 71.12 110.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 30' ' ' VAL . 7.5 t70 -119.1 166.76 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 73.33 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 ' N ' ' OD2' ' A' ' 29' ' ' ASP . 2.4 m -139.36 179.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 72.24 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 4.6 tt0 -73.42 92.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 75.23 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 78.27 47.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 65.02 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.97 -166.52 39.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 63.04 111.02 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -156.54 142.95 18.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 72.45 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -127.79 111.15 13.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 75.12 110.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -119.36 170.62 8.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 75.21 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.446 ' OD2' ' CD2' ' A' ' 45' ' ' LEU . 11.3 t70 -117.18 98.43 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 65.52 109.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 41.9 t -89.03 114.48 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 73.23 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -89.5 95.4 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 75.22 110.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 46' ' ' LEU . 8.8 mp -75.0 -47.77 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.03 109.293 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 6.4 ttmt -137.97 154.62 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 74.44 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 -14.38 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.44 110.395 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -125.56 18.32 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 73.42 109.307 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -146.14 132.86 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 65.04 110.389 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -126.44 131.63 51.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.42 109.288 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 63' ' ' PHE . 1.6 tm? -116.95 112.78 21.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 73.2 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.568 ' OE2' ' CD1' ' A' ' 66' ' ' TRP . 1.4 mp0 -85.53 137.96 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.14 110.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 2.0 tm? -116.6 116.64 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 71.44 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 7.3 m170 -121.02 102.06 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 75.34 109.627 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 10.6 tt -85.66 134.07 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 74.21 109.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.7 p90 -150.2 135.38 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 75.12 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.6 t80 -80.96 154.8 26.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.22 110.971 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.539 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 62.3 t0 -130.64 131.95 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.33 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.42 3.69 38.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 64.43 109.639 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.53 HG11 ' CD2' ' A' ' 56' ' ' TYR . 54.4 t -68.19 -47.39 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 75.43 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.53 ' CD2' HG11 ' A' ' 55' ' ' VAL . 46.3 m-85 -122.33 3.87 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.53 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 60.93 51.85 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 71.23 109.581 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.44 164.84 19.33 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 74.2 109.261 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.28 39.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 73.43 111.034 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.8 t -120.19 172.24 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 62.25 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.51 HD13 ' CG ' ' A' ' 137' ' ' TYR . 10.3 mt -137.74 141.14 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 74.02 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 7.3 ttpt -154.41 118.52 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.4 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CD1' HD23 ' A' ' 46' ' ' LEU . 22.4 p90 -128.97 170.29 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 75.13 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.585 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 8.6 mtp180 -140.69 141.41 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 73.3 110.269 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 73.0 mt -86.52 137.77 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.21 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.585 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 90.1 m95 -129.43 172.85 11.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.23 108.017 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -142.67 97.34 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 71.33 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.9 123.24 20.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.34 109.313 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -119.01 113.47 21.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 53.42 109.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.58 34.81 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.31 110.396 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -51.83 -44.41 63.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.55 110.301 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.9 mt-10 -102.62 -2.91 27.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 75.31 110.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.62 48.29 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 61.34 109.271 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.78 -8.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 72.34 109.245 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.4 t 83.23 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.44 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.05 177.55 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.04 109.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -170.54 163.49 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 71.01 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' SER . 54.7 ttt85 -155.31 142.38 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 75.2 110.251 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 28.8 tp -66.7 136.82 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.32 109.323 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 67' ' ' SER . 90.3 mt -109.16 162.19 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 72.12 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -144.85 95.45 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 75.14 110.361 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 65' ' ' LEU . 0.5 OUTLIER -127.92 167.35 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.53 109.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 m -74.54 -168.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.11 110.037 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' GLU . 56.5 m-20 -71.43 -54.16 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 71.01 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -38.33 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.4 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' SER . 1.7 mt-10 -88.33 -47.36 8.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 73.32 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 91' ' ' LEU . 53.5 tp -54.67 -57.98 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 65.42 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.97 -30.38 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.12 110.3 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.6 t -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.11 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -123.38 -42.86 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 74.11 109.317 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 87' ' ' LEU . 14.7 mt -75.77 166.18 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 73.02 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.453 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 68.2 m-80 -121.7 97.17 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 64.11 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.621 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.51 -58.19 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 75.41 109.284 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.12 -85.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 72.31 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -114.0 -18.47 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 75.22 110.404 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.27 173.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.43 111.005 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.411 ' HB3' ' ND2' ' A' ' 114' ' ' ASN . 19.4 m -130.1 166.38 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 62.54 110.009 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 99' ' ' THR . 3.2 t -153.68 163.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.13 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.492 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -150.77 112.13 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 75.43 110.395 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 111' ' ' TYR . 50.7 tp -80.1 129.36 34.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 73.43 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 75.12 109.994 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 71.22 109.973 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 100' ' ' LEU . 2.2 t -142.56 136.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 74.03 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -138.05 146.82 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.44 110.999 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CD1' HD13 ' A' ' 100' ' ' LEU . 99.1 m-85 -103.7 126.24 50.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.42 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 35.7 m-85 -103.61 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.12 111.038 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -70.15 134.35 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.34 109.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 97' ' ' SER . 2.7 m-80 -54.29 111.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 75.13 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 8.8 p-10 -139.56 47.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 75.32 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.2 p -92.62 -46.41 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 74.53 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.45 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 0.2 OUTLIER -105.07 78.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 71.34 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.479 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 4.5 m -80.96 -56.7 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.1 110.409 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 74.53 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.75 -14.35 39.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.52 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 9.4 m-20 -94.4 -69.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 63.31 109.306 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 123' ' ' GLY . 8.9 p -81.62 -54.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.53 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.462 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 83.43 -16.97 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 73.42 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.6 p -38.73 142.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 71.53 110.05 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.83 -179.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.43 109.332 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.3 t -84.69 -8.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 63.21 109.28 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.3 -67.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 75.11 110.296 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -115.89 47.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.54 109.573 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 124' ' ' SER . 2.9 t80 -73.21 -42.74 62.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 75.24 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 4.5 mm? -68.79 -22.81 64.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 74.23 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -90.12 -33.09 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 73.03 110.393 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -89.09 -16.75 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 74.2 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.563 ' CD1' HD22 ' A' ' 136' ' ' LEU . 76.5 t90 -86.18 -37.64 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 74.34 108.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 137' ' ' TYR . 7.3 tp -61.4 -47.62 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 71.31 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 138' ' ' ILE . 2.8 t -72.61 0.1 11.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 75.02 110.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -94.98 -43.61 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 75.52 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.687 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -94.42 -45.65 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 73.1 111.044 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.599 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 5.9 tp -46.75 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 72.51 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 137' ' ' TYR . 19.0 mtp180 -64.28 -40.93 96.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 72.33 110.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 137' ' ' TYR . 32.4 mt -62.59 -11.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.24 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.541 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.8 m-85 -107.54 -38.38 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 71.11 110.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -148.85 122.15 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.24 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.453 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -97.71 3.92 50.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.44 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.06 -13.6 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 73.23 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -94.37 105.19 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.34 110.999 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.21 98.61 40.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 71.02 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.467 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.534 1.807 . . . . 72.22 110.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.493 0.187 . . . . 74.04 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 126' ' ' VAL . 11.9 tp -50.47 105.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 62.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.48 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 58.4 p -76.22 -170.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.01 110.374 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -75.89 -46.01 3.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 71.24 109.277 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.02 -7.96 19.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 71.44 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.428 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 5.5 mm-40 -88.59 -44.3 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 72.13 110.263 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.599 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -80.06 -38.37 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.44 110.981 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.5 t-20 -63.0 -15.76 57.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 64.33 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.28 -28.23 47.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 72.41 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.416 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -106.89 12.5 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.21 110.29 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -57.45 -46.51 99.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.12 109.296 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 74.45 110.964 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 2.9 m-20 -93.45 -35.39 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 74.13 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 54.0 t -69.95 -44.84 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 65.13 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 19' ' ' THR . 19.4 ptt180 -71.12 -25.9 62.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.31 110.273 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 19' ' ' THR . 9.2 t -64.88 -39.78 94.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 65.45 109.966 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.7 pp -88.59 -33.65 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.31 109.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 36' ' ' LEU . 1.5 tp -62.09 -34.59 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 64.41 109.324 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 1.6 p -58.73 -15.48 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 74.4 110.393 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.04 109.308 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.568 ' CH2' ' CG1' ' A' ' 38' ' ' VAL . 1.5 t90 -48.87 131.36 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 71.22 107.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.3 -1.54 53.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 75.12 109.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.67 -26.25 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.03 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.565 HG23 ' CE3' ' A' ' 21' ' ' TRP . 12.7 t -59.2 131.84 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 74.22 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -111.05 -28.79 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 73.21 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 148.03 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.23 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mm -139.78 113.21 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.1 109.327 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -141.43 156.08 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.05 110.333 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.23 161.93 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 75.15 109.282 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 1.6 m -135.6 176.42 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.45 109.318 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.8 tt0 -72.39 93.27 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.41 110.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER 79.88 45.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 71.22 109.286 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.418 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 173.51 -168.81 41.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 71.32 111.004 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -153.9 149.29 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 71.43 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.447 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -130.04 112.83 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 72.4 110.264 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -118.72 146.88 44.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 75.11 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -104.35 95.04 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 64.51 109.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.568 ' CG1' ' CH2' ' A' ' 21' ' ' TRP . 11.1 t -82.52 148.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.51 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 44' ' ' THR . 1.9 mmt-85 -113.25 87.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 71.33 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 27.1 mt -63.39 -39.38 94.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 74.42 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -142.39 159.08 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.13 109.307 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -61.08 -13.97 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 72.25 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.07 13.49 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.43 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.4 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 90.7 m -128.21 153.64 46.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 74.32 110.415 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 1.4 tm? -137.67 132.36 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.32 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.4 tm? -119.16 104.68 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 65.33 109.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 2.5 mt-10 -83.83 116.09 22.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.51 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 141' ' ' PHE . 5.0 tt -106.94 135.04 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 74.32 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 1.9 m170 -130.16 155.24 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 74.34 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -129.75 130.47 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 74.34 109.351 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 p90 -144.79 131.87 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.25 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.433 ' CG ' HD23 ' A' ' 4' ' ' LEU . 44.9 t80 -70.21 146.07 50.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.4 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.489 ' OD2' ' CG2' ' A' ' 55' ' ' VAL . 39.4 t0 -126.69 110.54 13.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 72.43 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.438 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 4.0 m-70 -71.27 -6.66 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.45 109.564 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.489 ' CG2' ' OD2' ' A' ' 53' ' ' ASP . 64.2 t -59.58 -42.57 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 65.1 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -122.59 3.98 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.43 111.027 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 64.04 33.55 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 55.54 109.583 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.57 162.02 53.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.04 109.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.99 163.53 35.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 73.21 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -129.26 172.93 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 74.2 109.986 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.677 ' CD1' ' CD2' ' A' ' 137' ' ' TYR . 38.8 mt -140.24 127.45 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 73.32 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.92 128.11 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 75.44 109.287 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.596 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 40.6 p90 -141.29 164.08 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 75.31 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -140.78 118.46 11.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 73.32 110.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 40' ' ' LEU . 7.4 mt -64.31 144.67 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 74.03 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.522 ' CD2' HD11 ' A' ' 79' ' ' LEU . 95.3 m95 -126.92 158.0 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 61.42 107.977 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -128.35 97.7 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 75.51 109.978 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 125.73 27.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 75.3 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -121.79 112.84 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 70.22 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.49 31.99 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 72.35 110.402 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.07 -43.09 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 72.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.1 mt-10 -104.38 -14.0 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 74.45 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.56 50.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.21 109.338 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.54 -3.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.43 109.285 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t 73.51 45.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.41 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.08 176.46 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.22 109.973 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD12 ' CE3' ' A' ' 66' ' ' TRP . 4.0 pp -172.2 160.72 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 73.05 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -155.29 138.65 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 74.01 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 66' ' ' TRP . 13.8 tp -56.43 132.85 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 74.52 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 26.1 mt -95.27 146.09 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 65.41 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -139.07 92.28 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 74.05 110.385 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -125.66 167.52 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 74.34 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -60.7 -175.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 54.02 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -77.34 -34.49 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 71.14 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.9 m -56.81 -37.34 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 70.45 109.998 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 3.8 mt-10 -79.94 -45.16 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.24 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 91' ' ' LEU . 1.7 tp -61.42 -26.73 68.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.32 109.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.23 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 75.41 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -68.46 -27.27 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 50.42 109.981 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -112.44 -44.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.11 109.342 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mt -86.9 171.12 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 73.34 109.324 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -129.2 103.74 7.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 63.13 109.273 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.612 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.91 -58.0 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 64.21 109.265 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.95 -91.35 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 74.53 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -116.27 -2.19 12.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 74.54 110.352 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.526 ' CE2' HD11 ' A' ' 140' ' ' ILE . 10.9 m-85 -69.02 -171.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 74.33 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -146.76 148.86 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 73.02 109.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 99' ' ' THR . 2.9 t -138.59 164.08 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 75.22 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.506 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -134.75 114.67 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.23 110.422 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 111' ' ' TYR . 3.1 tp -90.44 121.88 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.33 109.325 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 74.24 109.984 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.96 -0.385 . . . . 70.04 109.96 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 100' ' ' LEU . 1.9 t -141.34 134.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.34 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.479 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 2.0 m-85 -128.71 153.33 47.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 75.24 110.963 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.554 ' CE1' HD22 ' A' ' 100' ' ' LEU . 47.2 m-85 -115.28 79.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 73.31 110.984 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -68.41 108.58 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.2 110.953 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mt -68.96 136.06 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 73.44 109.253 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -55.72 110.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 50.51 109.339 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 7.4 p-10 -140.21 43.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 71.22 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.99 -55.57 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 71.45 108.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -96.98 46.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 54.04 109.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.483 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 0.9 OUTLIER -67.81 -44.84 76.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 62.32 110.41 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -29.83 49.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 75.41 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.51 -23.8 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.43 109.323 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -79.25 -69.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 74.52 109.291 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.462 ' CG2' HD11 ' A' ' 136' ' ' LEU . 2.9 t -77.38 -65.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 74.12 109.261 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.28 -23.11 16.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 54.1 110.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.6 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 11.2 t -38.23 139.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 63.3 110.007 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.81 161.04 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.32 109.335 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 2' ' ' LEU . 2.0 p -67.76 -9.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.53 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -53.55 -67.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 74.53 110.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.421 ' O ' ' OG1' ' A' ' 131' ' ' THR . 20.1 m-70 -124.38 48.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 62.55 109.564 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 124' ' ' SER . 6.0 t80 -77.71 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 75.14 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.474 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 3.5 mm? -38.09 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 75.21 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' TYR . 25.8 p -81.91 -50.28 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 73.22 110.384 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.8 tpt85 -67.66 -54.81 16.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.52 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.66 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 58.1 t90 -40.82 -64.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.994 -1.113 . . . . 71.01 107.994 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' ILE . 6.3 tp -53.97 -51.74 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 70.35 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.439 ' N ' HG21 ' A' ' 134' ' ' ILE . 27.7 t -56.04 -16.57 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 74.31 109.991 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 132' ' ' ARG . 2.6 tt -96.52 -31.53 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.54 109.277 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.677 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 13.3 m-85 -94.17 -1.87 53.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 75.33 111.028 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 145' ' ' PHE . 4.7 tp -86.97 -19.72 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 72.52 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -74.41 -5.65 43.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 75.12 110.294 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 96' ' ' PHE . 13.6 mt -93.55 -9.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 75.42 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 48' ' ' LEU . 87.7 m-85 -118.58 -34.05 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 75.03 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -148.21 119.65 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.33 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 3.6 mt -96.84 2.72 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 75.22 109.288 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.86 -11.27 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.33 109.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -108.39 107.09 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.23 111.008 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.81 102.12 54.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 72.3 109.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.468 1.772 . . . . 72.53 110.957 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.503 0.192 . . . . 71.4 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 6.9 tp -50.81 100.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.33 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 73.9 p -73.8 -167.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.32 110.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.4 tm? -76.34 -45.45 3.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 74.22 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.01 -10.77 21.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 74.25 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.7 mm-40 -88.41 -35.06 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 74.33 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.477 ' HB2' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.84 -20.89 24.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.23 111.007 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.82 -17.06 54.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.25 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.61 -22.81 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.53 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 18.6 mt-30 -114.82 12.96 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 73.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.96 -44.11 99.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 64.34 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.94 0.07 9.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 64.33 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.87 -37.06 11.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 74.11 109.295 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 55.6 t -68.96 -55.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 74.52 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 5.2 ptt85 -57.59 -30.05 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.34 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -58.43 -52.64 64.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 75.24 109.978 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -78.83 -23.69 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 75.32 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 6.3 tp -60.66 -27.57 67.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 71.24 109.259 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 44.7 p -62.28 -23.28 66.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 74.33 110.427 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.25 -14.91 62.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 73.13 109.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.565 ' CH2' HG23 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -68.67 115.86 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 70.11 107.996 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.65 -13.64 44.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 75.41 109.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CB ' HG13 ' A' ' 38' ' ' VAL . 42.8 mtpt -82.78 -22.68 34.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 75.41 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 27' ' ' ILE . 20.3 t -73.45 118.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.22 109.262 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -91.73 -27.61 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 73.31 110.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.76 132.21 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 70.42 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.4 mm -112.14 103.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 72.41 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 7.1 tt0 -122.4 151.4 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.12 110.307 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -119.75 157.71 28.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 64.01 109.302 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 34' ' ' LEU . 15.9 m -122.36 174.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 71.25 109.28 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.92 28.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.14 110.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -169.12 33.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.43 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' HA2' ' CD1' ' A' ' 11' ' ' ILE . . . 142.6 -119.19 1.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 52.04 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -162.26 172.92 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 71.13 109.325 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.4 tm0? -157.07 106.56 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 64.13 110.339 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.45 171.84 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 74.3 109.255 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -129.31 95.34 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 72.14 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG23 ' CH2' ' A' ' 21' ' ' TRP . 2.2 t -88.13 141.33 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.42 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mmt-85 -97.42 78.08 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 12.9 mt -51.74 -31.34 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.12 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.6 ttmt -157.98 159.56 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.23 109.277 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.39 -14.78 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 75.4 110.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.05 17.96 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.12 109.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.447 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 12.5 m -135.93 134.23 38.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.44 110.4 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -124.66 125.73 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 73.21 109.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.577 HD22 ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -111.87 116.38 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 73.14 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 66' ' ' TRP . 2.3 mp0 -100.34 121.58 41.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.5 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -101.35 127.36 48.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.13 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 11.5 m170 -120.4 102.83 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.33 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 14.7 tt -85.69 136.21 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 74.34 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 33.1 p90 -152.66 172.65 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.41 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.468 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 1.8 t80 -109.8 141.19 42.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.14 111.019 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.64 123.17 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 70.3 109.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.18 3.81 47.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 71.22 109.581 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 56' ' ' TYR . 1.4 p -101.16 -31.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 75.21 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.572 ' CE2' HG11 ' A' ' 55' ' ' VAL . 55.8 m-85 -116.92 -13.51 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.21 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.442 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 11.6 m-70 60.61 53.13 4.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 73.4 109.594 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.4 164.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 72.25 109.258 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -75.02 148.2 34.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 73.42 111.009 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 m -133.19 174.23 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 53.42 109.963 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 9.7 mt -135.98 131.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.12 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 11.3 ttpt -143.29 118.58 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 75.42 109.257 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 54.0 p90 -138.24 159.99 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 75.41 110.991 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.58 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -132.14 133.54 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.45 110.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.0 mt -72.07 141.93 49.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 72.35 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 95.2 m95 -127.54 153.7 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 72.13 107.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -125.88 97.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.42 109.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 124.93 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.21 109.28 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.63 114.02 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.3 109.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.39 34.65 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 62.14 110.391 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -36.04 67.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 73.13 110.328 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.09 -1.94 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 74.31 110.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.56 48.27 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 74.33 109.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.414 ' CG2' ' HB2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -116.89 -6.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.51 109.297 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.7 t 78.45 50.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.12 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.02 177.81 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.33 110.034 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.602 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.07 162.85 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 75.33 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.68 131.92 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 75.12 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.507 HD11 ' CE2' ' A' ' 66' ' ' TRP . 7.5 tp -51.16 136.88 23.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 73.11 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 38.9 mt -100.76 154.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.33 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -143.43 88.39 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 62.5 110.374 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -121.96 167.14 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 74.15 109.258 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -66.68 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 75.45 109.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -21.3 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 60.43 109.314 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.5 m -64.47 -32.93 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.32 109.98 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 89' ' ' SER . 5.3 mt-10 -89.02 -46.99 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 73.13 110.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 111' ' ' TYR . 2.6 tt -55.7 -50.89 69.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.11 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -16.19 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 75.01 110.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 1.8 t -64.46 -27.32 68.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 71.35 109.974 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -112.67 -33.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 63.23 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 11.9 mt -94.22 173.26 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 73.11 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.426 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 63.5 m-80 -135.06 105.0 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 74.52 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.87 -57.99 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.22 109.361 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 53.41 -88.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 71.23 111.021 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.2 t -106.52 20.32 19.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 71.54 110.41 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.74 162.7 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.52 111.03 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -129.16 158.88 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 64.34 109.99 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.91 169.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.41 109.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -143.05 117.01 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 75.42 110.383 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.52 HD13 ' CZ ' ' A' ' 111' ' ' TYR . 22.0 tp -97.5 120.98 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 70.25 109.257 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.426 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 5.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 74.45 109.949 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.976 -0.379 . . . . 75.35 109.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 101' ' ' SER . 3.0 t -143.46 136.42 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 71.35 109.285 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.521 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 1.6 m-85 -119.97 157.96 27.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 74.34 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.52 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 44.2 m-85 -110.98 77.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.41 111.046 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 75.3 m-85 -65.85 113.25 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.22 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -70.84 141.96 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.32 109.278 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.68 111.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 75.11 109.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.2 t30 -136.53 35.9 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 51.31 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.95 -55.5 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 61.11 108.288 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -133.54 93.77 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 72.14 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.49 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -83.17 -42.55 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 73.11 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.407 ' N ' HG21 ' A' ' 118' ' ' THR . 1.6 t70 -58.17 -31.7 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.35 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.32 -13.59 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 72.44 109.329 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.01 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 123' ' ' GLY . 12.1 p -79.88 -55.12 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.42 109.271 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.441 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 76.19 -5.65 40.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 74.42 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.0 m -38.24 142.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 73.35 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.22 157.4 16.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 62.01 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.53 -11.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.22 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 78.0 mt-10 -63.04 -68.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 62.24 110.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 46.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.15 109.617 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 124' ' ' SER . 4.1 t80 -75.72 -41.07 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.23 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 4.2 mm? -70.46 -18.32 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 74.03 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.7 p -90.32 -47.74 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 65.3 110.39 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.84 -45.55 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 75.1 110.332 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 79.0 t90 -52.42 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 74.41 108.032 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 138' ' ' ILE . 5.7 tp -53.94 -55.81 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 75.53 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 134' ' ' ILE . 17.8 t -57.07 -15.27 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 62.15 110.051 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -94.03 -33.51 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 71.21 109.271 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 12.1 m-85 -94.6 -3.09 50.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 75.15 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 145' ' ' PHE . 4.7 tp -81.68 -20.34 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 73.32 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -76.87 -5.82 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.14 110.304 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 19.0 mt -92.99 -10.19 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 75.42 109.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 48' ' ' LEU . 84.5 m-85 -119.39 -33.33 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 71.13 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 49.7 t0 -147.63 112.24 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 70.44 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.426 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 1.3 mt -86.05 3.03 44.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 73.04 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -111.38 -15.04 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.3 109.322 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.565 ' CE1' HG12 ' A' ' 138' ' ' ILE . 25.6 t80 -71.89 111.02 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.52 111.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.31 112.35 59.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 65.05 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.443 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 72.44 110.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.495 0.188 . . . . 73.2 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 13.3 tp -50.76 110.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 74.21 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 64.3 p -78.86 -171.19 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 75.22 110.44 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -75.5 -45.7 4.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 71.42 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -7.32 19.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.558 1.82 . . . . 73.22 110.962 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -88.3 -41.26 13.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 74.43 110.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.579 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -84.6 -35.84 22.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 72.42 111.043 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.579 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.2 t-20 -66.06 -23.78 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 74.05 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -68.92 -25.2 64.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.24 110.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.446 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 3.7 mt-30 -114.37 15.24 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 75.43 110.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -63.92 -46.42 81.23 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.34 109.3 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.96 -0.04 9.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 73.42 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.3 m-20 -89.48 -33.93 16.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 75.33 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 72.8 t -73.52 -44.13 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 54.42 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -68.47 -19.11 64.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 71.22 110.293 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 t -77.25 -42.98 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 60.12 110.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 147' ' ' PRO . 2.3 pp -78.61 -25.59 45.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.12 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -58.18 -19.33 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.04 109.328 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 p -64.78 -11.26 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.03 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -85.05 -19.25 32.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 70.3 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.572 ' CE3' HG21 ' A' ' 24' ' ' VAL . 1.5 t90 -70.46 119.0 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 75.33 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.47 -1.85 58.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 64.55 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 2.4 mtpp -93.51 -26.35 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 74.02 109.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG21 ' CE3' ' A' ' 21' ' ' TRP . 26.2 t -65.24 129.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 64.41 109.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -112.81 -20.91 11.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.33 110.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 11.5 ttt-85 -133.6 151.21 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 74.41 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -139.27 111.53 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.51 109.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 10.8 tt0 -146.75 153.5 40.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 72.13 110.29 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 30' ' ' VAL . 6.2 t70 -112.26 166.16 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 73.24 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 2.8 m -138.15 -178.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.43 109.303 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.3 tt0 -78.95 93.91 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 54.31 110.344 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 81.42 43.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.13 109.313 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 170.68 -170.07 42.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 70.31 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -148.12 146.01 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 63.34 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -123.01 117.61 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.23 110.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -125.12 149.51 47.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 73.44 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.416 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 69.8 m-20 -101.91 95.15 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 73.12 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.569 HG12 ' CH2' ' A' ' 21' ' ' TRP . 21.8 t -78.2 111.82 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 75.32 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.516 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -85.17 88.82 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 75.03 110.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 HD13 ' CG1' ' A' ' 38' ' ' VAL . 11.2 mp -69.72 -50.16 46.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 74.52 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 18.7 ttmt -133.81 153.52 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 74.54 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -61.0 -14.95 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 73.55 110.421 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' LEU . 76.3 m-20 -122.44 15.9 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.11 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -139.4 149.59 44.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.31 110.381 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 66' ' ' TRP . 1.4 tm? -140.16 136.01 33.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 75.34 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 63' ' ' PHE . 2.3 tm? -126.04 102.06 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 74.44 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 18.0 mt-10 -79.73 121.85 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 44.2 110.327 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 1.8 tt -108.96 140.66 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 72.54 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -135.22 107.25 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 71.01 109.563 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 5.9 tt -85.33 127.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 73.13 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 6.4 p90 -142.76 136.57 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.04 111.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD1' HD22 ' A' ' 4' ' ' LEU . 3.9 t80 -82.89 144.47 30.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 75.22 110.981 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -120.24 123.82 44.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 75.12 109.254 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.45 ' CE1' ' CD2' ' A' ' 4' ' ' LEU . 2.6 m-70 -79.44 1.38 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 63.21 109.571 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' ' 56' ' ' TYR . 85.1 t -66.84 -45.96 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 74.1 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.42 ' CD2' HG13 ' A' ' 55' ' ' VAL . 53.2 m-85 -122.08 8.72 9.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.25 111.004 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 56.98 46.35 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 61.43 109.599 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.411 ' CG1' HG22 ' A' ' 118' ' ' THR . 0.2 OUTLIER -149.31 163.29 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.23 109.257 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -75.03 160.01 40.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 73.13 111.026 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 67.2 m -126.73 -177.51 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 75.42 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 137' ' ' TYR . 10.8 mt -138.03 135.61 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.02 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -155.72 115.98 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 75.02 109.289 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.618 ' CE1' ' CB ' ' A' ' 111' ' ' TYR . 11.4 p90 -141.88 171.09 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.21 111.014 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.583 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 9.2 mtp180 -137.47 144.39 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.53 110.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 85.6 mt -87.94 148.17 24.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 74.42 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.583 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 88.1 m95 -140.39 162.47 35.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.5 107.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -133.3 97.91 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.12 110.007 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -68.03 124.2 22.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.23 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.09 110.94 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 45.11 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.32 31.21 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 54.32 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -43.17 -42.22 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 73.43 110.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.7 mt-10 -105.88 -13.65 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 73.23 110.362 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.85 50.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 74.12 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -111.87 -7.97 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.21 109.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.9 t 78.04 38.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 71.31 109.992 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -75.29 175.14 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 74.31 110.005 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.6 pp -167.25 162.66 15.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.41 109.305 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' SER . 20.0 ttp-105 -154.12 135.5 14.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 74.34 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 16.0 tp -53.74 132.53 41.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.4 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 32.6 mt -99.94 162.62 12.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 72.21 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -156.52 116.91 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 72.22 110.394 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -145.45 167.14 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 73.22 109.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -62.72 -168.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 71.31 109.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.07 -52.64 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.44 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t -62.37 -31.83 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 74.4 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 2.3 mm-40 -68.37 -30.08 68.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 74.42 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 91' ' ' LEU . 7.4 tp -87.9 -31.71 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.3 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -23.65 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 74.14 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -54.18 -19.72 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 65.2 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.405 ' CD1' HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.27 -43.77 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 74.04 109.337 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 10.4 mt -80.66 -179.84 7.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.22 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.5 m-80 -142.61 100.01 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 50.11 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.629 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.93 -58.18 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 73.11 109.291 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.28 -88.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 63.34 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -112.66 -10.3 13.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 75.33 110.387 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -71.49 -171.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.53 110.953 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.6 m -151.67 158.28 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 73.43 110.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 99' ' ' THR . 2.7 p -142.61 164.46 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 73.41 109.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.424 ' N ' ' CG2' ' A' ' 98' ' ' VAL . 1.2 m -130.29 117.28 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 73.45 110.404 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 111' ' ' TYR . 4.1 tt -102.27 125.83 49.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 75.23 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.22 109.965 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.002 -0.37 . . . . 45.14 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.454 ' CG1' HD21 ' A' ' 100' ' ' LEU . 2.3 t -144.59 141.96 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.54 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -139.31 -178.21 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.21 111.015 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.618 ' CB ' ' CE1' ' A' ' 63' ' ' PHE . 20.1 m-85 -137.91 81.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.31 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 26.9 m-85 -77.77 97.38 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 74.12 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.6 mt -58.67 153.85 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 71.43 109.317 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.543 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -75.39 106.07 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.25 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -128.79 17.51 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.34 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -61.27 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.11 108.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.443 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 3.2 m-20 -96.56 57.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 73.33 109.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.411 HG22 ' CG1' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -83.18 -6.02 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.2 110.392 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.56 -39.65 73.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.093 . . . . 75.12 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.6 -11.11 49.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 72.14 109.232 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 1.0 OUTLIER -66.89 -69.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 72.34 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 129' ' ' TYR . 1.9 t -97.36 -65.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 62.12 109.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 36.79 31.9 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 62.01 111.054 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' VAL . 88.8 p -83.61 -75.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 74.24 110.031 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.404 ' N ' ' OG ' ' A' ' 124' ' ' SER . 1.1 t0 -153.26 133.48 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 75.14 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.445 ' CG1' HD13 ' A' ' 2' ' ' LEU . 82.8 t -63.76 -15.96 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.02 109.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.19 -67.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 62.23 110.283 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.05 46.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 75.13 109.607 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 4.0 t80 -78.14 -40.38 38.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 73.22 111.021 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 4.4 mm? -68.91 -22.58 64.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.43 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 134' ' ' ILE . 81.9 p -89.92 -32.54 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 72.13 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 tpt85 -90.12 -16.4 29.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 74.51 110.285 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.522 ' CE2' ' HG2' ' A' ' 59' ' ' PRO . 61.3 t90 -85.83 -43.65 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 73.02 108.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.543 HD12 ' CE2' ' A' ' 137' ' ' TYR . 6.6 tp -55.27 -48.42 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 74.13 109.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.498 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 0.5 OUTLIER -75.44 -0.84 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.436 ' CD1' HG21 ' A' ' 122' ' ' VAL . 6.9 tt -99.64 -38.62 8.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 74.32 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -92.87 -43.0 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.51 111.012 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 7.1 tp -53.93 -20.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 74.13 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 135' ' ' SER . 14.4 mtp180 -64.34 -8.23 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.15 110.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 137' ' ' TYR . 1.2 mm -85.13 -10.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 62.51 109.342 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 2.9 m-85 -122.27 -38.13 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 75.42 111.005 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.417 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 5.7 t0 -134.74 114.99 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 74.5 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.0 mt -97.86 3.18 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 71.14 109.331 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -113.65 -11.29 12.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 73.21 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -71.43 112.16 7.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.02 111.017 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.74 106.37 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.53 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.484 ' CG ' ' OG ' ' A' ' 135' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 71.52 111.027 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.533 0.206 . . . . 75.03 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 13.7 tp -63.36 104.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 74.1 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 80.8 p -73.67 -170.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.41 110.429 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -75.91 -45.39 3.94 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 73.44 109.275 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -11.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 75.43 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 80.2 mt-10 -87.85 -33.44 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 74.4 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CD2' HD12 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.49 -23.32 23.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 75.32 111.029 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.477 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -75.43 -16.89 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.23 109.278 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.83 -22.83 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 74.53 110.333 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.474 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 30.3 mt-30 -116.33 14.28 15.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 74.42 110.255 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -61.15 -45.39 95.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 71.45 109.285 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.95 -0.2 9.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 70.44 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 7.6 m-20 -93.78 -33.03 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.43 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' CG1' ' CD1' ' A' ' 134' ' ' ILE . 69.7 t -78.43 -44.57 26.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 73.44 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 13.0 ptt85 -66.02 -19.23 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 73.53 110.32 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 12.7 t -74.32 -56.96 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 50.23 109.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 147' ' ' PRO . 3.6 pp -66.69 -22.67 66.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 71.13 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -58.57 -22.32 55.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 73.25 109.292 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 16' ' ' SER . 61.9 p -66.84 -8.51 29.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.01 110.44 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 13.6 mtpp -81.62 -18.68 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 72.15 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CZ3' HG22 ' A' ' 38' ' ' VAL . 1.3 t90 -75.58 118.64 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 74.44 108.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.5 -18.66 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 74.35 109.266 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -74.02 -17.41 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 73.03 109.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG1' HG12 ' A' ' 27' ' ' ILE . 25.0 t -80.89 117.43 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.15 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.22 -30.09 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 75.43 110.279 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.13 135.99 49.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.53 110.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.436 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.7 mm -119.62 107.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.45 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 8.0 tt0 -128.07 147.95 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 71.4 110.318 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 142.96 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 52.32 109.292 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 34' ' ' LEU . 16.8 m -111.14 171.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 75.02 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.51 36.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 73.33 110.263 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 178.66 39.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 74.31 109.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' CA ' HG23 ' A' ' 50' ' ' ILE . . . 142.81 -125.43 2.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 65.24 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.531 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -168.69 151.27 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 74.33 109.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -130.56 108.02 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 75.32 110.304 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -109.68 170.89 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 74.44 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.46 ' OD1' ' CD2' ' A' ' 45' ' ' LEU . 8.7 t70 -128.4 95.53 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 72.02 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 2.3 t -92.25 136.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 74.43 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.31 79.21 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.21 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 9.6 mt -53.46 -35.37 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 74.11 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 11.1 ttmt -149.08 158.23 44.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 74.31 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -58.05 -16.33 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.24 110.396 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.73 25.06 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.42 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.445 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 17.4 m -140.54 133.67 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.02 110.43 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -119.22 125.15 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 73.23 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.578 ' CD2' ' CD2' ' A' ' 63' ' ' PHE . 1.1 tm? -102.82 97.4 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 74.34 109.336 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -74.24 100.61 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.35 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -93.68 123.31 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 75.03 109.306 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.56 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -128.29 117.73 21.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.23 109.628 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.531 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.9 tt -89.89 144.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.23 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 4.7 p90 -160.35 150.99 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 75.4 111.006 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -104.75 156.97 17.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 74.31 110.985 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 4.7 t0 -117.26 131.29 56.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.53 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.425 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -88.18 3.54 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.33 109.606 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.5 t -100.26 -26.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.51 109.285 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 51.4 m-85 -110.45 -15.54 13.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 70.21 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 60.84 40.93 15.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 71.14 109.581 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -151.89 164.19 21.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 75.23 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 73.22 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.545 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 23.1 t -142.62 -179.95 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 75.41 109.961 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 137' ' ' TYR . 68.3 mt -148.7 143.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 73.5 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HB2' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -152.01 136.54 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 74.43 109.309 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.578 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 55.7 p90 -152.42 165.86 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 75.12 111.02 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.617 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -143.09 112.86 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 74.52 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.2 mt -48.03 149.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.35 109.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.644 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 98.5 m95 -136.01 151.73 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 74.13 107.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.468 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 29.5 t -122.68 96.92 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 70.03 110.033 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.82 123.67 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 72.03 109.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.53 113.12 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.31 109.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.49 36.76 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 63.54 110.39 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.44 -40.08 64.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 71.31 110.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -107.28 -2.46 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 74.4 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.85 49.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 72.22 109.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.4 -9.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 71.22 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.87 42.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 74.41 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.404 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -80.56 175.54 10.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.33 110.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.644 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.6 pp -164.42 169.04 17.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.32 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.84 126.42 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.44 110.306 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 5.8 tp -60.34 125.04 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 73.42 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 38.2 mt -95.15 162.62 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 71.14 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -152.19 86.19 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 74.45 110.466 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -114.26 167.54 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 74.31 109.321 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 m -61.93 -170.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.32 110.006 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.84 -23.36 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.23 109.256 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -64.0 -33.54 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 72.31 109.986 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 3.0 mt-10 -89.81 -41.22 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 72.21 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.87 -40.14 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.41 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -66.22 -25.8 67.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 75.1 110.274 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -50.75 -21.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 44.22 110.005 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 -41.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.12 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.578 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 16.0 mt -82.49 -179.59 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 72.54 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 140' ' ' ILE . 70.3 m-80 -139.8 103.09 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.34 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.613 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.55 -58.17 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 71.41 109.333 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.31 -81.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 74.01 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.9 t -112.91 -21.32 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 74.3 110.383 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.42 -171.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.41 110.985 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 m -152.18 165.67 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.31 110.001 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 99' ' ' THR . 5.9 p -140.88 167.96 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.25 109.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 98' ' ' VAL . 1.0 OUTLIER -137.04 110.33 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 74.23 110.419 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 111' ' ' TYR . 3.7 tt -91.26 129.18 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.33 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.422 ' N ' HD21 ' A' ' 100' ' ' LEU . 16.8 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 62.25 110.003 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.04 -0.356 . . . . 71.13 110.04 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.603 ' O ' ' CD1' ' A' ' 110' ' ' TYR . 13.0 t -148.55 167.33 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 74.45 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 109' ' ' VAL . 2.3 m-85 -157.93 166.04 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 73.01 110.993 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CE1' HD13 ' A' ' 100' ' ' LEU . 42.4 m-85 -134.21 79.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 75.01 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 62' ' ' LYS . 96.3 m-85 -75.02 117.77 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 75.22 111.038 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 141' ' ' PHE . 5.0 mt -71.07 136.44 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 65.51 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -56.53 111.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.23 109.288 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.497 ' CB ' ' OH ' ' A' ' 137' ' ' TYR . 4.7 p-10 -139.22 18.32 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 62.31 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.5 p -52.81 -46.86 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 64.3 108.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.86 89.3 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.23 109.307 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -81.5 -32.12 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 74.52 110.394 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.424 ' N ' HG23 ' A' ' 118' ' ' THR . 1.2 p-10 -61.85 -26.45 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 74.23 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.46 -12.07 47.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 74.13 109.281 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -88.49 -68.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 75.4 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 129' ' ' TYR . 7.4 p -99.62 -53.7 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 64.51 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.449 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 36.23 40.01 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 53.42 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.4 m -73.84 -80.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 73.13 110.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -161.57 147.01 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 74.33 109.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.7 -12.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.11 109.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.406 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 38.5 mt-10 -59.12 -67.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 70.31 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -119.83 46.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.1 109.592 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.559 ' CE1' HG12 ' A' ' 122' ' ' VAL . 4.1 t80 -71.46 -37.81 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 70.51 111.047 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 7' ' ' TYR . 3.2 mm? -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.22 109.32 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -88.12 -36.8 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.45 110.401 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -82.49 -16.2 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 71.21 110.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.61 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 75.4 t90 -87.11 -45.95 10.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 74.33 107.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 138' ' ' ILE . 5.6 tp -56.39 -49.75 75.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 73.23 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 30.7 t -67.12 -4.39 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.4 109.945 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.452 ' CD2' ' HB ' ' A' ' 122' ' ' VAL . 1.4 tp -93.46 -54.47 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 72.34 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.61 ' CE1' ' NE1' ' A' ' 133' ' ' TRP . 9.7 m-85 -78.92 -46.46 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 64.33 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 134' ' ' ILE . 5.4 tp -49.36 -28.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 74.33 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 135' ' ' SER . 27.0 mtp180 -58.32 -36.91 74.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 75.3 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASN . 42.0 mt -64.49 -10.26 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 74.13 109.341 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 5.0 m-85 -113.73 -31.73 6.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 75.25 111.021 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.562 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.49 110.28 4.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 72.31 109.302 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.64 3.64 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 71.53 109.264 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -106.46 -23.56 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 61.32 109.336 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.8 OUTLIER -92.14 109.44 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 73.31 110.975 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.2 98.56 51.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 70.41 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.462 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 73.2 110.992 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.478 0.18 . . . . 74.1 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -55.84 145.3 24.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 75.21 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.513 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 32.4 p -65.91 -177.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.11 110.374 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -77.38 -44.07 2.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 75.13 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.95 -9.38 20.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 74.2 111.035 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 27.8 mm-40 -88.67 -36.71 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.51 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CE1' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -78.33 -30.68 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.23 110.984 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.564 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 10.9 m-20 -73.17 -15.06 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 54.54 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -68.94 -23.14 64.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 73.34 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -115.74 18.61 15.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 72.23 110.345 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -64.12 -47.41 79.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 75.44 109.318 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 74.41 111.002 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.7 m-20 -91.11 -35.85 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 73.42 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' CD1' ' A' ' 134' ' ' ILE . 24.3 t -67.47 -54.83 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.23 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.462 ' O ' ' CG2' ' A' ' 19' ' ' THR . 27.2 ptt85 -64.83 -32.28 73.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 73.42 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' OG1' ' A' ' 19' ' ' THR . 2.2 t -54.14 -42.43 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 71.33 110.061 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.5 pp -88.1 -32.66 18.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 74.3 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 138' ' ' ILE . 8.3 tp -57.2 -18.85 17.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 73.42 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 68.3 p -59.38 -19.6 48.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 44.43 110.397 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -72.74 -24.39 60.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.2 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CE3' HG22 ' A' ' 24' ' ' VAL . 1.7 t90 -57.43 126.83 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.31 107.988 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.99 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.4 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -81.13 -24.62 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.35 109.32 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG22 ' CE3' ' A' ' 21' ' ' TRP . 13.5 t -67.05 113.85 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 65.14 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.47 -36.76 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.54 110.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.09 147.35 49.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 75.14 110.355 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mm -132.47 129.75 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.41 109.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -157.13 139.48 14.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 72.13 110.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -102.82 154.61 19.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 74.5 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -130.43 172.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.45 109.288 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 31' ' ' GLN . 2.9 pt20 -70.91 95.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 72.21 110.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER 76.33 52.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 74.52 109.327 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.1 -164.98 38.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.085 . . . . 62.32 111.029 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -159.03 142.03 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 75.4 109.317 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -127.68 113.98 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 72.33 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.84 164.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 74.54 109.304 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -119.97 95.34 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 73.22 109.304 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG23 ' CH2' ' A' ' 21' ' ' TRP . 11.9 t -84.75 126.99 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 74.41 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -90.9 84.79 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 73.33 110.341 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' A' ' 46' ' ' LEU . 7.4 mp -66.62 -40.33 88.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 75.22 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -139.61 154.16 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 73.22 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -59.48 -17.81 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.13 110.43 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 20.28 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.45 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 18.0 m -137.87 144.71 41.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 70.33 110.424 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -132.18 136.18 46.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 75.42 109.338 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.476 ' CB ' ' CD1' ' A' ' 40' ' ' LEU . 2.2 tm? -114.5 102.3 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.41 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.28 104.09 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 72.24 110.265 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 141' ' ' PHE . 0.5 OUTLIER -94.98 133.43 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 75.12 109.295 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.38 106.29 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.21 109.633 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 9.4 tt -85.0 135.24 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 75.43 109.329 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CE1' ' OG ' ' A' ' 60' ' ' SER . 22.2 p90 -150.27 135.31 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 75.33 111.042 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.552 ' CD1' HD22 ' A' ' 4' ' ' LEU . 40.7 t80 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.43 111.002 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.51 115.67 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 74.32 109.304 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -81.47 3.63 24.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 71.51 109.605 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.1 t -86.49 -40.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 73.31 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.23 -7.27 10.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 72.44 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.404 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 53.9 m-70 65.64 45.84 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 72.13 109.592 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.78 157.95 53.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 74.3 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.4 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.769 . . . . 73.12 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.593 ' OG ' ' CE1' ' A' ' 51' ' ' TYR . 22.9 t -117.99 170.74 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.52 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' ' CZ2' ' A' ' 133' ' ' TRP . 13.2 mt -138.55 124.12 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 73.44 109.274 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -137.99 120.47 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.51 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 42.3 p90 -130.17 148.01 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.33 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.6 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 10.4 mtm180 -123.99 118.37 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.23 110.292 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 77.6 mt -63.21 142.56 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.31 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.0 m95 -135.23 151.77 50.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 73.44 107.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -123.91 97.6 5.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 55.4 110.005 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.83 123.08 19.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 74.34 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -120.92 113.5 20.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.42 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.47 37.73 2.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.42 110.403 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.25 -42.85 52.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 71.13 110.276 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 2.9 mt-10 -102.84 -8.41 20.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 75.32 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t70 81.62 43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 73.03 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -111.76 11.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 64.21 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.91 40.05 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 75.31 109.993 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -69.51 -178.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 64.4 109.98 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.489 HD13 ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.49 163.03 6.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -155.23 130.88 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.14 110.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 7.3 tp -57.15 126.66 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 74.12 109.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 26.3 mt -93.17 145.74 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 75.34 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 m -135.99 94.72 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.33 110.404 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.33 167.18 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 73.31 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 p -72.83 -172.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 64.42 109.988 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' GLU . 5.1 t70 -68.92 -53.8 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 72.53 109.317 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m -38.81 -30.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 73.34 110.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 89' ' ' SER . 2.1 mt-10 -89.4 -45.73 9.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 72.13 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.417 ' CG ' HD11 ' A' ' 91' ' ' LEU . 48.3 tp -58.96 -61.16 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 64.15 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -49.25 -23.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 70.44 110.303 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.8 t -51.13 -38.9 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 65.14 109.995 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.3 pt -108.03 -34.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.3 109.337 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 5.8 mt -77.14 178.82 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 62.52 109.322 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 140' ' ' ILE . 70.3 m-80 -141.57 91.21 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.51 109.324 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.636 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -91.74 -57.98 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.25 109.343 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.3 -79.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 63.54 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.0 t -112.86 -18.44 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 53.12 110.388 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.34 -171.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.2 110.96 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -149.29 167.23 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 72.14 110.003 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.4 p -152.49 165.41 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 62.44 109.266 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -143.17 130.43 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 73.44 110.368 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 111' ' ' TYR . 10.6 tp -91.0 128.67 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 75.32 109.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.454 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 31.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 73.21 109.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.998 -0.371 . . . . 75.5 109.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 67.4 t -148.26 158.14 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 71.41 109.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 101' ' ' SER . 1.1 p90 -160.49 146.07 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.32 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CD1' HD12 ' A' ' 100' ' ' LEU . 74.9 m-85 -102.31 122.54 44.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 75.44 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -100.52 119.97 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 73.04 110.993 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.435 HD11 ' CE1' ' A' ' 141' ' ' PHE . 4.7 mt -74.03 131.5 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.55 109.273 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.91 113.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.42 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.3 t30 -142.93 47.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 72.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 80.2 m -71.52 -53.72 12.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.12 108.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 0.4 OUTLIER -134.05 95.37 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 60.32 109.299 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.1 m -69.29 -13.43 62.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 71.31 110.418 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.66 -17.76 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 62.35 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.54 43.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 62.01 109.297 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 0.5 OUTLIER -95.28 -66.17 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.44 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 136' ' ' LEU . 2.8 t -74.03 -66.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.143 . . . . 73.21 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 34.15 35.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 72.52 111.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' VAL . 65.4 m -73.97 -80.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 72.35 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -162.86 130.74 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 61.21 109.269 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 2' ' ' LEU . 33.0 t -57.3 -18.11 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.13 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.89 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 74.03 110.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.4 47.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 62.32 109.553 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -73.33 -35.46 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.45 110.965 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 4.5 mm? -68.82 -24.89 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 72.54 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 p -90.03 -32.69 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 64.41 110.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' O ' ' CD ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -87.84 -17.13 32.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 63.2 110.295 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.64 ' CZ2' ' CD1' ' A' ' 61' ' ' ILE . 79.9 t90 -86.88 -44.29 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.3 107.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.508 ' O ' ' CG2' ' A' ' 138' ' ' ILE . 7.1 tp -58.18 -49.03 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 73.54 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 2.4 t -72.87 -2.89 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 72.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -97.83 -39.93 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 75.24 109.292 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 138' ' ' ILE . 0.0 OUTLIER -91.89 -50.38 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.55 111.001 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.619 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 7.0 tp -42.57 -28.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 73.44 109.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 135' ' ' SER . 76.4 mtt-85 -62.05 -46.35 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.11 110.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.5 mt -50.74 -20.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 72.14 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 48' ' ' LEU . 7.5 m-85 -104.03 -34.53 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.45 111.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 48.2 t0 -148.67 100.38 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.11 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 139' ' ' ARG . 12.5 mt -82.84 3.16 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 74.1 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.73 -22.23 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 75.3 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.455 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 50.2 t80 -80.89 109.54 15.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.44 110.998 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 103.44 52.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 64.22 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 75.23 110.968 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptp . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.46 0.171 . . . . 71.21 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -50.12 101.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.41 109.27 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.496 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 55.4 p -71.88 -165.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 65.44 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 tm? -76.71 -45.72 3.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 72.41 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.96 -9.29 20.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 73.52 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -88.54 -36.0 16.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.31 110.305 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -88.66 -33.32 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.41 110.988 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.548 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 12.0 t-20 -67.59 -21.11 65.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 75.25 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -75.19 -24.09 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.5 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 30.3 mt-30 -109.46 13.91 23.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 65.3 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -62.14 -45.18 90.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.31 109.3 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.99 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 71.02 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.9 m-20 -91.01 -34.21 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.44 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 39.0 t -77.07 -51.84 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 61.24 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -62.97 -18.31 63.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 65.11 110.294 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 19' ' ' THR . 12.6 t -76.59 -45.38 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 70.24 109.986 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD21 ' CG2' ' A' ' 134' ' ' ILE . 1.7 pp -77.6 -25.89 50.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 73.02 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 134' ' ' ILE . 1.8 mm? -57.96 -17.8 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.32 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 16' ' ' SER . 81.9 p -63.73 -14.34 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.42 110.392 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.53 -18.0 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 74.21 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.568 ' CE3' ' CG2' ' A' ' 24' ' ' VAL . 1.7 t90 -73.94 124.39 26.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.51 108.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.52 -15.7 28.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 74.21 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -79.43 -15.05 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 62.43 109.303 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 39.2 t -80.52 123.62 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.32 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.95 -22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 75.33 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.452 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 6.1 ttt85 -126.77 131.21 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 75.22 110.231 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -125.07 109.1 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 71.23 109.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 17.6 tt0 -142.82 153.87 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 74.21 110.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -115.39 162.48 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 73.33 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.419 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 2.3 m -139.36 159.86 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.24 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -55.63 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.44 110.323 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER 78.22 53.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.23 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 165.74 -172.88 41.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 65.22 110.994 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -154.01 146.66 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 70.21 109.288 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.2 tm0? -127.54 115.35 18.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 75.31 110.321 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.6 150.53 40.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 75.3 109.302 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 7.2 m-20 -101.64 95.33 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 70.24 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG12 ' CH2' ' A' ' 21' ' ' TRP . 6.4 t -82.23 134.28 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 64.24 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.17 94.0 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.03 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 90' ' ' ILE . 16.9 mt -71.35 -49.29 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 72.25 109.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.8 ttmt -135.57 158.01 45.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 74.31 109.289 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.432 ' HA ' ' NE ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -56.56 -19.98 18.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 71.23 110.436 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -128.56 24.22 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 72.14 109.246 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 66' ' ' TRP . 11.7 m -141.03 134.48 29.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 55.02 110.399 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 66' ' ' TRP . 1.0 OUTLIER -119.76 146.39 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 75.24 109.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.2 tm? -130.33 106.19 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.05 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 12.7 mt-10 -84.68 114.87 22.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 73.05 110.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 141' ' ' PHE . 1.1 tt -102.78 139.91 37.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 74.31 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 1.2 m170 -133.25 129.89 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 63.44 109.594 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.5 tt -107.18 133.48 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 74.3 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.674 ' CE1' ' CB ' ' A' ' 60' ' ' SER . 13.0 p90 -152.61 129.56 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.12 110.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CD1' HD21 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.9 155.35 32.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.53 110.969 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.528 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 51.5 t0 -129.53 129.66 44.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 75.4 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.6 OUTLIER -81.95 3.76 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.54 109.572 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG2' ' OD1' ' A' ' 53' ' ' ASP . 75.3 t -68.1 -53.47 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.32 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.457 ' CD1' HG13 ' A' ' 55' ' ' VAL . 34.7 m-85 -117.81 8.29 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.2 111.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 58.13 50.6 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 71.41 109.565 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -147.32 167.47 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 62.23 109.316 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.501 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.2 Cg_endo -74.99 165.92 30.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 73.24 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.674 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 1.3 m -129.63 -179.71 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 75.3 110.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 137' ' ' TYR . 4.3 mt -150.66 134.23 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.22 109.303 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 10.2 ttpt -156.42 116.63 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 74.32 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CD1' HD21 ' A' ' 46' ' ' LEU . 22.6 p90 -135.84 173.84 11.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.25 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.639 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 6.7 mtp180 -140.3 150.33 43.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 73.43 110.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 78.4 mt -91.49 144.62 25.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 75.05 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 87.3 m95 -136.75 149.75 48.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.42 107.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -124.19 97.47 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 72.41 110.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 122.98 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.23 109.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.96 114.04 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 73.53 109.266 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.78 34.66 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.22 110.392 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.63 -36.39 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 75.1 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.8 mt-10 -108.27 -1.57 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 72.04 110.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.46 47.41 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 61.24 109.324 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -116.98 -7.36 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 75.04 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.8 t 80.83 48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 72.43 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.7 176.23 9.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 74.54 109.992 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.508 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.7 163.38 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 74.15 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.56 137.08 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.2 110.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 11.6 tp -55.13 131.23 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.44 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 31.1 mt -96.84 162.57 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 73.45 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -154.79 107.27 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.45 110.413 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -141.33 167.18 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.42 109.293 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -56.54 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 72.43 109.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -45.45 15.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 73.52 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -67.17 -24.27 65.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.33 110.045 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -79.75 -33.55 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 63.44 110.26 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD23 ' CZ ' ' A' ' 111' ' ' TYR . 2.5 tp -84.2 -28.46 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 72.12 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.34 -19.24 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 73.04 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -54.64 -24.76 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.04 109.991 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -115.67 -37.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.41 109.316 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 87' ' ' LEU . 66.2 mt -85.2 -179.82 7.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 73.23 109.314 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.6 m-80 -143.87 97.36 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.44 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -92.53 -58.03 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 64.22 109.312 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.57 -81.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.477 1.111 . . . . 64.14 111.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 6.9 t -113.27 -21.74 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 73.41 110.396 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 140' ' ' ILE . 12.4 m-85 -66.08 -170.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.54 110.997 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.3 m -153.1 170.31 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.42 110.014 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 99' ' ' THR . 2.6 p -153.67 166.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 75.12 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.464 ' N ' ' CG2' ' A' ' 98' ' ' VAL . 1.1 m -135.58 124.32 23.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 74.52 110.408 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 111' ' ' TYR . 13.7 tp -98.45 122.18 41.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.25 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 54.32 109.983 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.006 -0.368 . . . . 71.52 110.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.45 ' CG2' ' HG ' ' A' ' 100' ' ' LEU . 3.7 p -147.64 151.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.14 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -138.5 161.23 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.44 111.038 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 29.9 m-85 -107.49 80.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 75.21 110.953 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 71.4 m-85 -67.66 99.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 74.24 110.956 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.434 HD13 ' CZ ' ' A' ' 141' ' ' PHE . 5.9 mt -63.08 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 75.41 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 113' ' ' ILE . 4.8 m-80 -64.87 107.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 62.44 109.346 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' THR . 19.6 p-10 -107.08 -17.9 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 74.35 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.5 p -52.22 -28.07 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.15 108.287 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.28 36.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.34 109.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' VAL . 1.1 m -83.0 -63.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.13 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -21.7 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 75.43 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.08 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 75.35 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.458 ' HB3' ' CD2' ' A' ' 136' ' ' LEU . 92.4 m-20 -92.54 -69.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.32 109.275 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.584 ' CG1' ' CE1' ' A' ' 129' ' ' TYR . 66.3 t -56.73 -65.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 74.5 109.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 131.94 -140.45 11.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 71.55 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 t -122.11 -2.22 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 74.13 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.0 89.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 74.31 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.43 -8.19 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.4 109.287 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.52 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 71.01 110.291 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -112.91 47.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 72.34 109.578 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.584 ' CE1' ' CG1' ' A' ' 122' ' ' VAL . 1.0 OUTLIER -78.84 -34.82 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 74.22 110.984 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 7' ' ' TYR . 4.4 mm? -78.97 -20.09 50.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.53 109.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 71.41 110.353 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.464 ' CZ ' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -89.62 -49.73 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 72.23 110.307 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.529 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 82.9 t90 -44.98 -49.27 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 75.45 107.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.584 HD12 ' CE2' ' A' ' 137' ' ' TYR . 6.1 tp -53.37 -53.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.34 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.474 ' OG ' ' CG ' ' A' ' 147' ' ' PRO . 1.7 t -67.92 -1.38 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 63.34 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.471 ' CD2' HG23 ' A' ' 122' ' ' VAL . 2.7 tp -93.44 -54.3 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 75.42 109.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.677 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.1 OUTLIER -82.99 -44.66 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 74.03 110.981 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.615 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 6.4 tp -47.97 -26.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.22 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -61.1 -39.66 90.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.33 110.329 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ASN . 74.4 mt -61.39 -11.93 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 72.53 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.559 ' CZ ' HD13 ' A' ' 48' ' ' LEU . 76.0 m-85 -113.02 -30.28 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 74.42 110.996 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.62 104.5 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 72.32 109.337 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.97 2.98 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.51 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -111.86 -18.25 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 72.12 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.422 ' CB ' ' HB2' ' A' ' 142' ' ' ASP . 68.5 t80 -76.24 111.89 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.41 110.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.51 115.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.42 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.474 ' CG ' ' OG ' ' A' ' 135' ' ' SER . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 72.32 110.969 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.478 0.18 . . . . 73.5 110.996 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 14.7 tp -74.71 109.72 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 54.24 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.498 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 61.4 p -76.68 -171.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 71.15 110.398 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -76.03 -45.6 3.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 73.21 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -8.15 19.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 72.14 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -88.17 -39.15 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 64.21 110.336 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -85.96 -36.93 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.54 110.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 t-20 -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 73.3 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.35 -32.21 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 72.14 110.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.5 mp0 -103.57 7.22 37.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 63.53 110.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -55.29 -45.46 99.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.11 109.271 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.0 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 75.13 110.99 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.58 -34.7 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 72.23 109.286 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 23.3 t -75.43 -48.43 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 72.11 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' CB ' HD22 ' A' ' 34' ' ' LEU . 4.5 ptm180 -62.65 -23.88 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.14 110.267 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.3 t -67.16 -60.76 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 73.21 110.028 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' CD1' ' CB ' ' A' ' 147' ' ' PRO . 2.9 pp -62.82 -23.67 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 72.32 109.276 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 1.3 mm? -52.3 -23.3 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 70.22 109.293 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -62.26 -34.76 77.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 73.21 110.446 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 11.0 mmmt -57.89 -17.57 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 75.33 109.339 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.583 ' CH2' ' CG2' ' A' ' 38' ' ' VAL . 1.7 t90 -74.32 106.82 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.01 -1.107 . . . . 75.41 108.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.04 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 72.45 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -72.39 -25.47 61.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 74.43 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG22 ' CD2' ' A' ' 21' ' ' TRP . 11.7 t -71.57 118.74 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 73.34 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -108.29 -23.44 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.52 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -135.76 131.51 35.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 75.12 110.336 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -117.18 118.94 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 75.54 109.348 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -134.5 158.02 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 75.44 110.259 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -121.32 155.43 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 71.54 109.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.1 167.63 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 72.12 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.2 tt0 -61.23 92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 74.53 110.333 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' OD1' ' CD1' ' A' ' 4' ' ' LEU . 6.0 t70 76.09 50.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 71.52 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.12 -165.09 36.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 73.3 110.989 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -158.48 153.31 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 73.54 109.271 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.4 tm0? -137.99 105.48 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 75.25 110.314 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.62 167.52 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 74.34 109.289 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.35 94.94 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 74.2 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.583 ' CG2' ' CH2' ' A' ' 21' ' ' TRP . 26.6 t -91.34 111.53 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 65.1 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -85.8 85.95 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.44 110.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 38' ' ' VAL . 7.5 mp -63.65 -39.08 93.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.04 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -142.71 154.75 44.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.35 109.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -61.6 -14.46 30.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 75.43 110.393 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -123.82 11.32 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 64.04 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.1 m -134.01 146.49 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 73.12 110.36 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -133.0 136.63 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 75.12 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 1.3 tm? -114.99 99.07 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 74.12 109.282 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 2.1 tt0 -82.45 109.42 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.4 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -98.05 131.68 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 70.53 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 2.1 m170 -128.29 120.52 27.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 75.02 109.583 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 2.7 tt -104.43 125.38 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 73.24 109.336 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 43.5 p90 -144.17 138.7 28.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 72.44 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CD1' HD22 ' A' ' 4' ' ' LEU . 1.2 t80 -85.48 155.21 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 72.14 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t0 -127.87 130.09 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 75.34 109.277 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' CD2' ' H ' ' A' ' 54' ' ' HIS . 1.0 OUTLIER -84.23 3.5 35.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 73.23 109.599 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 67.0 t -72.16 -50.67 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 75.03 109.359 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -115.91 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.12 110.985 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 57.86 56.63 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 75.22 109.647 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.09 164.91 19.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 74.12 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.94 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 72.43 110.998 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 10.9 m -122.3 177.42 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 73.55 110.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 HD12 ' CG ' ' A' ' 137' ' ' TYR . 2.9 mt -139.21 136.33 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 75.15 109.306 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 11.9 ttpt -155.61 116.46 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 73.45 109.327 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 23.3 p90 -135.38 170.48 15.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.31 111.014 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.575 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 5.5 mtm180 -150.64 113.0 4.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 75.24 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 65' ' ' LEU . 8.8 mp -66.48 145.34 55.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 63.01 109.316 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 83.2 m95 -133.15 151.68 51.97 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 72.3 108.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.453 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 1.3 t -119.09 97.83 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 75.24 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.61 123.84 21.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 74.14 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -118.21 113.47 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 70.43 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.66 33.85 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.33 110.433 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.48 -36.37 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 62.34 110.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.405 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.7 mt-10 -108.33 -1.65 19.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.44 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.76 47.54 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 73.21 109.318 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.96 -8.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 75.3 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.52 45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 62.42 110.02 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.99 178.97 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 72.41 110.017 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 pp -174.13 160.36 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 72.14 109.262 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -155.0 130.04 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 74.34 110.324 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 17.4 tp -49.14 136.21 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.35 109.269 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 42.6 mt -99.64 115.43 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 75.02 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.5 m -118.34 93.14 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.03 110.407 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -124.17 167.03 14.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 75.0 109.305 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 171.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 61.25 109.979 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -63.8 -38.91 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 65.42 109.3 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -50.2 -42.42 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 72.55 110.008 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 3.4 mt-10 -79.62 -45.15 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.23 110.26 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 111' ' ' TYR . 2.9 tm? -58.66 -22.67 57.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 75.24 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -86.02 -21.87 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 74.35 110.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -58.57 -16.18 14.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.23 110.004 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.74 -44.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.35 109.272 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt -78.17 173.21 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 74.04 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.404 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 71.3 m-80 -133.6 100.52 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.32 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.615 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.75 -57.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.14 109.28 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.01 -85.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 75.52 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -122.81 4.45 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.4 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.22 -171.78 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 75.1 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -145.36 162.76 36.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 72.53 109.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.91 172.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 70.32 109.306 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -150.33 111.29 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.31 110.359 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.54 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 7.9 tt -89.43 121.52 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 75.44 109.255 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 71.5 109.982 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.012 -0.366 . . . . 72.43 110.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.54 ' CG1' ' CD2' ' A' ' 100' ' ' LEU . 3.2 t -144.16 153.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.12 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -140.97 167.65 21.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.32 110.973 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 30.0 m-85 -122.88 78.58 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 73.21 110.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 48.5 m-85 -65.84 105.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 75.24 111.011 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 61' ' ' ILE . 5.6 mt -70.66 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.33 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.401 ' N ' HG22 ' A' ' 113' ' ' ILE . 2.6 m-80 -66.72 111.03 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.44 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 8.5 p-10 -140.63 45.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 74.21 109.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.0 p -89.4 -46.27 8.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 73.14 108.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -108.69 76.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.4 109.311 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 122' ' ' VAL . 1.1 m -83.18 -57.37 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.34 110.359 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -50.43 -26.54 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 62.13 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.89 -28.27 21.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 71.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' THR . 59.5 m-20 -86.7 -70.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 73.01 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 136' ' ' LEU . 37.5 t -60.28 -66.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 75.33 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.0 -33.13 4.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 73.44 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 33.1 t -36.8 141.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 64.11 109.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -59.79 176.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 71.31 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.3 t -82.96 -8.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.54 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -54.79 -67.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 74.32 110.311 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.44 ' CB ' ' OG1' ' A' ' 131' ' ' THR . 0.0 OUTLIER -123.72 47.43 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 72.02 109.603 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 124' ' ' SER . 3.4 t80 -67.77 -36.25 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 64.43 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 10' ' ' GLN . 2.4 mm? -68.02 -26.04 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 75.21 109.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.44 ' OG1' ' CB ' ' A' ' 128' ' ' HIS . 16.9 p -90.56 -30.51 17.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 75.51 110.413 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -16.28 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 65.31 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 79.6 t90 -88.26 -42.02 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 72.54 108.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.578 HD12 ' CE2' ' A' ' 137' ' ' TYR . 7.0 tp -58.23 -50.0 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.3 109.294 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.476 ' CB ' ' HD2' ' A' ' 147' ' ' PRO . 45.1 t -74.06 -0.01 15.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 75.4 110.007 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.476 ' CD1' HG22 ' A' ' 122' ' ' VAL . 2.9 tt -98.22 -43.79 6.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 64.31 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.702 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -89.66 -40.09 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.51 111.006 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.539 ' CG2' ' O ' ' A' ' 134' ' ' ILE . 6.3 tp -56.95 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 75.23 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.6 mtp180 -64.58 -11.06 30.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 74.13 110.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 24.0 mt -88.57 -10.89 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.33 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.43 ' CE2' ' HE1' ' A' ' 137' ' ' TYR . 96.9 m-85 -115.85 -28.08 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.35 111.017 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.568 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -147.99 117.93 7.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 64.11 109.266 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.404 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 8.4 mt -98.53 3.07 48.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 55.4 109.324 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.404 HD21 ' N ' ' A' ' 144' ' ' ASN . 2.2 m-80 -106.06 -18.16 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.33 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.9 t80 -101.22 102.31 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 72.44 110.99 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.94 93.62 30.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 72.42 109.312 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 135' ' ' SER . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 73.04 110.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.542 0.21 . . . . 64.41 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 16.3 tp -50.81 110.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 74.23 109.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.494 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 60.7 p -77.51 -171.42 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 73.32 110.443 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -75.75 -45.66 4.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 74.12 109.326 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 71.42 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 2' ' ' LEU . 26.3 mt-10 -88.51 -39.72 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 75.22 110.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -86.23 -36.68 19.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.43 111.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.587 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 15.6 t-20 -63.92 -18.34 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.44 109.313 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -72.91 -24.6 60.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.34 110.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 21.3 mt-30 -111.49 12.04 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 75.33 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -58.81 -46.16 99.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.11 109.338 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.91 0.11 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 73.12 111.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 3.1 m-20 -94.02 -33.6 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 72.25 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 97.7 t -77.89 -39.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.15 109.268 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 ptt85 -66.39 -31.28 71.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 74.41 110.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 19' ' ' THR . 22.7 t -62.59 -60.85 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 74.54 110.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 ' CD1' ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -59.16 -23.57 62.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 73.53 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -58.58 -21.14 52.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 62.34 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 16' ' ' SER . 60.9 p -68.4 -7.59 32.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 73.43 110.391 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 44.4 mttp -86.79 -29.77 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 75.14 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.664 ' HE1' ' NZ ' ' A' ' 23' ' ' LYS . 1.6 t90 -59.17 108.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 75.25 108.039 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 74.4 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.664 ' NZ ' ' HE1' ' A' ' 21' ' ' TRP . 3.6 mtmm -76.94 -26.25 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.13 109.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.529 HG21 ' CE3' ' A' ' 21' ' ' TRP . 15.6 t -70.91 124.63 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 73.23 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -113.17 -19.96 11.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 75.3 110.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.4 110.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -128.04 104.77 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 61.54 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 23.0 tt0 -132.35 156.02 47.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.45 110.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 2.2 p-10 -120.66 163.69 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.33 109.287 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG22 ' CA ' ' A' ' 34' ' ' LEU . 2.6 m -134.77 168.68 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.15 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.7 OUTLIER -65.49 93.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 73.41 110.317 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 78.74 52.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 74.23 109.276 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.78 -159.19 31.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 72.32 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -156.38 160.47 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 74.41 109.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' A' ' 28' ' ' GLN . 2.3 tm0? -146.56 106.86 4.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 73.42 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -105.45 163.52 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 71.21 109.277 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.47 95.17 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 73.24 109.289 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG23 ' CH2' ' A' ' 21' ' ' TRP . 18.6 t -84.01 146.31 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 72.35 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -111.33 85.09 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 71.22 110.319 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 28.4 mt -63.93 -51.48 64.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.54 109.321 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.4 ttmt -135.23 156.57 48.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 75.12 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -59.93 -15.96 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 74.04 110.397 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' LEU . 32.4 m-20 -123.99 17.48 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 51.2 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 66' ' ' TRP . 91.6 m -139.0 151.21 46.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.21 110.4 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -135.23 136.76 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 75.21 109.288 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.546 HD22 ' CD2' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -115.39 99.56 7.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 75.24 109.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -87.27 108.8 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.41 110.266 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.666 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 0.6 OUTLIER -95.66 139.14 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 70.21 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.412 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -134.5 112.12 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.13 109.633 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.3 tt -89.41 136.63 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 72.31 109.261 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.0 p90 -151.5 129.44 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.23 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.542 ' CD1' HD21 ' A' ' 4' ' ' LEU . 11.6 t80 -79.01 133.08 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 75.13 111.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -102.31 119.71 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.11 109.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.508 ' CE1' HD21 ' A' ' 4' ' ' LEU . 1.2 m-70 -81.12 3.6 22.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 71.22 109.6 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.698 ' CG1' ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -82.65 -36.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 75.04 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.698 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 28.0 m-85 -116.17 -7.55 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.53 110.979 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 65.04 49.1 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.52 109.61 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.38 163.68 24.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 75.14 109.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.449 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.99 150.35 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 71.11 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 33.5 t -123.96 176.58 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 74.33 109.999 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.609 ' CD1' ' CG ' ' A' ' 137' ' ' TYR . 9.2 mt -137.18 141.18 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 73.4 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 13.4 ttpt -155.66 117.11 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 72.25 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.546 ' CD2' HD22 ' A' ' 46' ' ' LEU . 38.7 p90 -136.13 164.6 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 64.32 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -137.28 134.18 35.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 74.44 110.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 83.2 mt -72.41 148.27 45.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 75.24 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.535 ' CE3' ' N ' ' A' ' 79' ' ' LEU . 94.6 m95 -139.95 160.06 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.02 108.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.81 97.9 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 75.53 109.971 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.33 124.61 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 75.33 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.61 113.28 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 74.22 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.28 30.16 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 73.3 110.409 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -42.22 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 72.23 110.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.2 mt-10 -104.09 -15.5 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.22 110.335 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 5.8 t0 81.15 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 60.02 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -114.4 -9.89 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 75.52 109.291 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.5 t 84.04 41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 71.33 109.994 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.415 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -75.34 176.33 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 62.31 110.007 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.492 HD13 ' CE3' ' A' ' 66' ' ' TRP . 3.6 pp -168.38 162.98 12.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 75.03 109.343 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 67' ' ' SER . 7.0 tpt180 -155.41 131.41 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 73.54 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.535 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 17.4 tp -50.23 132.36 24.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 65.21 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 29.3 mt -99.51 162.63 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.42 109.338 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 80' ' ' LEU . 2.4 p -156.67 111.47 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.04 110.416 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -142.0 167.0 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.44 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -55.62 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 75.13 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.94 -41.25 21.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 72.33 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -64.67 -36.57 84.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 75.52 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -75.13 -29.75 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.23 110.311 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' CE1' ' A' ' 111' ' ' TYR . 2.2 tp -82.73 -27.36 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.54 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -7.2 33.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 75.51 110.286 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 t -67.05 -25.26 66.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 75.04 110.028 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.496 ' CD1' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.16 -37.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.13 109.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 87' ' ' LEU . 92.6 mt -85.37 -179.66 7.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 74.35 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -143.95 97.24 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 75.01 109.312 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.63 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.29 -58.2 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.55 109.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.62 -81.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 62.4 111.013 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.8 t -113.52 -21.41 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 73.23 110.43 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -65.03 -171.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 65.54 110.954 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.8 m -148.26 171.99 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 74.32 110.003 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.4 p -153.67 170.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.43 109.306 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 112' ' ' TYR . 1.4 m -138.03 114.78 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.54 110.408 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 111' ' ' TYR . 1.6 tp -93.99 120.85 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.22 109.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.407 ' N ' HD11 ' A' ' 100' ' ' LEU . 5.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 53.53 110.004 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.016 -0.364 . . . . 71.42 110.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 100' ' ' LEU . 60.7 t -149.42 152.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.52 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -148.65 160.2 43.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 72.53 110.963 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.557 ' CE1' HD22 ' A' ' 87' ' ' LEU . 32.8 m-85 -119.66 80.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.14 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 89.7 m-85 -68.41 109.02 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.23 110.947 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.494 HD13 ' CZ ' ' A' ' 141' ' ' PHE . 6.4 mt -75.73 142.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 71.44 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.22 112.92 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 73.14 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 20.9 t30 -119.57 8.58 11.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 74.41 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.0 p -70.15 -29.73 66.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 71.32 108.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.67 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 70.51 109.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m -83.21 -62.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 75.04 110.423 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.82 -21.5 63.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.04 109.275 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.98 31.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.32 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -93.73 -69.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 75.54 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.493 ' CG1' ' CE1' ' A' ' 129' ' ' TYR . 3.3 t -76.02 -65.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 74.35 109.326 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.14 -116.79 5.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 75.32 111.041 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.609 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.9 p -86.22 -99.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 74.42 109.998 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 124' ' ' SER . 2.3 m-20 34.79 53.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 75.21 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.76 -8.49 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.05 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -67.63 -66.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.34 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 47.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 74.5 109.597 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 124' ' ' SER . 5.2 t80 -74.03 -41.14 62.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.44 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.0 mm? -67.68 -27.73 67.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 64.42 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.6 p -88.07 -34.89 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 75.11 110.383 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.8 tpt85 -84.72 -17.12 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 74.42 110.318 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.515 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 81.8 t90 -84.36 -45.39 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.972 -1.122 . . . . 74.12 107.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.618 HD12 ' CE2' ' A' ' 137' ' ' TYR . 8.0 tp -56.68 -53.78 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 74.21 109.352 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.484 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 37.6 t -71.31 1.47 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.11 109.979 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.74 -45.88 6.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.21 109.312 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.671 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.1 OUTLIER -94.26 -42.95 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.52 110.995 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.659 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 5.9 tp -48.36 -24.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.2 109.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 135' ' ' SER . 46.4 mtp85 -59.73 -39.26 84.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 75.54 110.297 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.51 -11.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 75.22 109.287 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.666 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 82.0 m-85 -112.59 -31.76 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 71.24 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 145' ' ' PHE . 17.7 t0 -148.51 106.97 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 43.33 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mt -90.06 3.18 54.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 75.34 109.257 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.62 -18.74 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 62.1 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 3.3 t80 -102.92 109.39 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.44 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.87 92.0 37.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 74.41 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 74.24 111.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.425 ' OG ' ' CG1' ' A' ' 58' ' ' VAL . 6.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.013 -0.366 . . . . 74.12 110.013 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.13 0.24 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 75.2 110.979 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 13.8 tp -50.59 106.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 72.12 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 70.0 p -74.96 -171.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 60.3 110.386 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -76.54 -45.32 3.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 73.15 109.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -12.74 21.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 74.22 111.041 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.1 mm-40 -88.57 -33.09 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.33 110.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.68 -24.95 22.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 75.35 110.982 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 8.8 t-20 -76.47 -16.65 59.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 63.11 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 74.21 110.25 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 15.7 mt-30 -114.04 15.44 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 74.22 110.325 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -60.97 -48.38 92.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.4 109.273 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 71.3 111.007 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.3 m-20 -92.4 -34.15 14.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 75.21 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 24.7 t -69.6 -49.4 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 75.2 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' O ' ' CG2' ' A' ' 19' ' ' THR . 6.2 ptm180 -65.88 -34.41 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 74.34 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' OG1' ' A' ' 19' ' ' THR . 11.6 t -54.49 -43.81 72.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 60.25 110.001 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -85.19 -32.28 22.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 73.35 109.312 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 36' ' ' LEU . 4.5 tp -55.9 -26.77 48.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 74.33 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 72.3 p -55.36 -27.91 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 75.44 110.403 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 30.5 mttm -58.41 -30.4 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.55 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.568 ' CZ3' HG22 ' A' ' 38' ' ' VAL . 1.3 t90 -50.91 130.02 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 72.04 107.995 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.83 -15.51 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 71.31 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HG3' ' NE1' ' A' ' 21' ' ' TRP . 3.4 mtmm -85.33 -26.54 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 72.34 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 10.7 t -63.81 117.16 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 62.44 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 29.4 tt0 -107.68 -26.84 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 64.33 110.328 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -124.88 144.89 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.52 110.342 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -130.85 103.85 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 73.53 109.245 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -131.28 135.6 47.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 64.51 110.293 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 7.4 t70 -101.19 161.06 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 64.14 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 34' ' ' LEU . 35.8 m -135.02 168.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.12 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.04 32.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 72.43 110.275 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -168.35 32.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 73.43 109.289 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.75 -119.02 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 63.54 110.952 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -165.71 153.94 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 0.811 . . . . 74.34 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -134.59 106.18 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 74.03 110.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.99 165.02 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 73.44 109.315 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.464 ' OD1' ' CD2' ' A' ' 45' ' ' LEU . 2.8 t0 -119.48 96.01 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.24 109.276 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 15.7 t -86.49 126.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 73.43 109.253 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 8.4 tpp180 -94.99 89.2 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 71.13 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 46' ' ' LEU . 9.3 mp -68.46 -32.58 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.33 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.5 ttmm -149.28 156.47 42.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 73.14 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.37 -19.36 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 64.04 110.411 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.65 15.19 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.53 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 5.7 m -135.92 123.62 22.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.42 110.439 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 1.3 tm? -121.12 134.92 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 63.14 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 63' ' ' PHE . 3.4 tm? -117.7 105.25 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 62.43 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.8 tp10 -78.79 102.31 8.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 74.23 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 1.7 tm? -81.16 121.04 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 75.21 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.535 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 7.8 m170 -121.14 116.33 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 74.04 109.595 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.8 tt -100.7 137.34 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 71.03 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 6.3 p90 -151.25 142.32 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 75.33 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -83.41 150.93 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 71.1 110.961 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -130.21 114.68 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 63.45 109.33 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.425 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 3.5 m-70 -73.63 -4.45 34.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.43 109.586 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 56' ' ' TYR . 75.9 t -60.88 -45.14 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 74.4 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 116' ' ' CYS . 43.6 m-85 -119.14 0.96 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.31 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 64.89 44.04 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 71.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 ' CG1' ' OG ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.66 165.19 18.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 75.33 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 18.2 Cg_endo -75.03 159.61 41.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 72.41 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.636 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 18.5 m -124.96 176.23 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 54.42 109.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.662 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 7.0 mt -138.56 129.2 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 75.11 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 8.3 ttpt -147.34 117.06 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 73.21 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 7.5 p90 -130.78 165.4 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 75.34 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 8.6 mtp180 -139.0 137.01 35.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 73.11 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 35.9 mt -82.25 142.31 32.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 73.21 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 96.0 m95 -130.32 160.41 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.22 107.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -130.68 97.46 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 75.45 110.017 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.77 125.44 26.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 72.11 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -123.01 112.58 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 75.24 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.14 34.32 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.25 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.74 -44.49 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.33 110.312 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -103.24 -12.86 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 74.45 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER 81.69 53.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.31 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -6.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 73.22 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.9 t 74.78 44.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.42 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -84.81 176.47 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.2 110.021 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -165.94 166.14 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 74.24 109.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -155.48 134.54 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 75.15 110.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 33.2 tp -55.14 141.88 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 70.05 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 95.0 mt -111.01 162.39 14.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.42 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.43 ' CG2' HG12 ' A' ' 109' ' ' VAL . 2.2 p -154.95 120.31 5.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 75.03 110.461 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -144.56 167.08 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 73.11 109.257 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -69.05 -175.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 61.24 109.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -67.62 -54.97 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 71.22 109.324 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -50.11 -37.69 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 72.2 109.981 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.11 -32.24 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 74.41 110.297 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -75.76 -17.69 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.33 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -86.05 -17.65 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.23 110.285 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -57.59 -17.2 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.5 110.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.72 -48.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 73.14 109.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 19.9 mt -79.44 166.73 21.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 75.33 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.408 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 65.5 m-80 -124.56 103.33 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.42 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -92.88 -58.13 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 73.03 109.272 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.87 -88.14 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 74.21 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.2 t -120.21 -5.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 73.33 110.417 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.27 -170.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 72.11 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.2 m -146.73 147.27 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.14 110.012 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 p -140.64 158.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 72.44 109.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 m -133.81 108.12 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.23 110.385 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.556 HD11 ' CE1' ' A' ' 111' ' ' TYR . 5.2 tt -99.44 123.39 43.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 71.35 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.9 t -132.47 141.93 49.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 75.42 110.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 p -96.75 165.17 12.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 71.42 110.386 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -86.96 168.2 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 71.34 109.26 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.7 ttt -56.42 -34.97 67.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 74.43 110.946 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -78.52 -11.46 59.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.44 110.301 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.7 mtp 58.1 25.76 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 75.42 110.985 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -17.49 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.52 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.98 147.12 50.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.42 110.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -149.54 163.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 72.45 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.562 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -141.51 157.84 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.12 111.017 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.685 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 22.6 m-85 -111.04 79.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 75.45 111.035 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 76.5 m-85 -70.78 104.15 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 70.32 110.978 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.0 mt -70.46 139.13 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 75.43 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.02 111.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 74.34 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 8.9 p-10 -139.09 47.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 74.32 109.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 20.3 p -88.63 -46.03 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 75.31 108.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -112.22 76.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 72.23 109.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -83.08 -50.24 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 73.14 110.402 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' N ' ' CG2' ' A' ' 118' ' ' THR . 2.7 p30 -49.4 -26.11 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 74.11 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.55 -39.96 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 75.13 109.302 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 118' ' ' THR . 72.9 m-20 -94.57 -64.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.31 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.53 ' CG1' ' CE1' ' A' ' 129' ' ' TYR . 14.2 t -52.4 -65.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 73.41 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.49 -153.34 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 75.31 110.999 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 126' ' ' VAL . 9.5 m -113.58 -15.37 12.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 60.01 110.014 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.57 92.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 74.33 109.338 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 2' ' ' LEU . 17.1 t -73.74 -8.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 74.42 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 16.5 mt-10 -68.5 -67.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 72.24 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.65 46.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 74.14 109.6 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.53 ' CE1' ' CG1' ' A' ' 122' ' ' VAL . 1.2 t80 -79.73 -49.02 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 64.45 110.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.552 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.5 mm? -59.25 -26.36 64.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.55 109.29 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -88.42 -51.93 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 71.34 110.431 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 4.4 tpt180 -65.71 -17.22 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 72.24 110.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.619 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 67.7 t90 -83.95 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 75.13 107.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 138' ' ' ILE . 2.2 tp -53.92 -56.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 73.03 109.329 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.464 ' CB ' ' HG2' ' A' ' 147' ' ' PRO . 32.7 t -55.18 -17.6 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.04 110.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.403 ' CB ' ' O ' ' A' ' 132' ' ' ARG . 1.9 tt -92.92 -32.63 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 75.13 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 11.9 m-85 -94.75 -2.28 51.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.41 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 134' ' ' ILE . 3.9 tp -86.36 -19.8 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.41 109.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -67.88 -7.99 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.34 110.34 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 21.8 mt -93.79 -10.61 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 74.41 109.291 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 141' ' ' PHE . 5.6 m-85 -111.51 -39.9 4.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 74.44 110.969 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.93 116.17 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 74.43 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.408 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 1.1 mt -90.98 3.1 55.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 73.11 109.326 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -102.61 -11.89 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 61.21 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.5 t80 -111.32 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 74.14 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.93 95.24 37.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.55 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 71.55 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.982 -0.377 . . . . 71.54 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 47.16 22.93 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 73.53 111.028 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 22.2 tp -74.83 111.41 10.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 74.54 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.487 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.2 p -76.54 -171.62 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 63.42 110.409 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -76.29 -45.65 3.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.11 109.289 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -9.96 21.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 74.43 111.018 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.33 -35.62 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.44 110.304 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -88.67 -32.29 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.14 111.017 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 t-20 -69.03 -16.3 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 71.23 109.298 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -73.37 -23.93 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 61.43 110.253 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -111.13 12.74 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 71.31 110.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -56.91 -47.49 98.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 72.51 109.322 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -74.99 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.481 1.779 . . . . 73.23 111.028 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.86 -35.22 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.35 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 31.0 t -67.43 -47.46 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 71.23 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' ' CG2' ' A' ' 19' ' ' THR . 21.8 ptt85 -66.93 -35.0 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.34 110.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 43.9 t -53.33 -43.7 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.11 110.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -84.99 -32.0 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 75.21 109.314 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 36' ' ' LEU . 4.5 tp -56.54 -23.37 39.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 72.33 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 72.5 p -60.52 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.1 110.411 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 1.3 mmmp? -58.68 -30.72 67.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 74.24 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' CH2' ' CG2' ' A' ' 38' ' ' VAL . 1.1 t90 -48.86 118.75 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.005 -1.109 . . . . 73.44 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.09 -14.07 45.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 73.53 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 1.7 mtmm -85.99 -26.31 25.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.21 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 4.1 t -61.55 141.86 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 73.22 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -118.79 -37.21 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.54 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -132.97 133.91 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 75.44 110.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -113.38 117.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.15 109.276 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -138.75 145.12 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 75.32 110.275 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.45 160.86 15.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 72.44 109.289 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.04 174.99 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.41 109.272 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -62.55 92.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 75.14 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.82 48.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 74.14 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 50' ' ' ILE . . . 177.93 -170.4 42.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 62.33 111.0 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -157.65 140.84 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 70.41 109.302 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' CD ' ' O ' ' A' ' 35' ' ' GLN . 2.4 tm0? -126.69 105.3 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 71.44 110.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.687 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.49 171.04 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 74.51 109.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.94 94.57 4.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 72.54 109.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.582 ' CG2' ' CH2' ' A' ' 21' ' ' TRP . 29.7 t -90.42 131.2 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.55 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -105.01 90.99 3.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 74.34 110.34 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 46' ' ' LEU . 8.3 mp -69.38 -36.3 76.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 71.1 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.0 ttmt -140.51 156.52 46.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 64.34 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -60.45 -14.64 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.2 110.382 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -129.02 19.8 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.33 109.269 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 24.8 m -135.5 148.44 49.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 73.54 110.427 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 38' ' ' VAL . 1.5 tm? -141.48 129.45 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 70.34 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.555 HD21 ' CD1' ' A' ' 63' ' ' PHE . 1.3 tm? -115.68 96.28 5.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.44 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' OE1' ' NE2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -74.62 122.09 22.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.01 110.37 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -105.16 125.33 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.15 109.307 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' NE2' ' OE1' ' A' ' 47' ' ' GLU . 6.7 m170 -121.95 124.04 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 74.21 109.596 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.1 tt -102.14 126.22 56.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.23 109.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 20.4 p90 -143.77 150.01 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.23 111.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.566 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -105.7 151.37 24.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 73.41 110.973 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' CD2' ' A' ' 56' ' ' TYR . 57.9 t0 -111.33 133.84 53.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 55.23 109.27 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -88.18 3.41 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 73.31 109.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -104.81 -17.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 73.5 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.441 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 18.9 m-30 -116.55 -13.65 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 75.32 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 57.51 37.81 27.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 73.14 109.625 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.8 162.03 28.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 74.1 109.281 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 61.31 111.031 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.573 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -138.12 -174.21 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 73.35 110.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' A' ' 137' ' ' TYR . 1.6 mm -138.32 138.6 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 74.4 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -155.43 130.57 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.25 109.266 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 22.7 p90 -148.51 173.89 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 64.35 111.012 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 19.2 mtm180 -147.25 134.14 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 75.34 110.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.44 144.38 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 74.2 109.278 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 79' ' ' LEU . 80.4 m95 -138.72 152.98 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 74.32 108.039 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -129.15 97.7 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 73.53 109.982 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.8 124.97 22.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 74.21 109.299 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.19 113.65 22.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.23 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.7 36.61 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 73.22 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.91 -40.32 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.21 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -106.95 -3.12 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 74.45 110.248 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 66.86 50.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.45 109.286 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.86 -8.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 71.14 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.6 t 79.11 44.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 65.04 110.04 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.68 177.29 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.52 109.979 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -169.16 165.71 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 74.5 109.313 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -155.15 145.42 21.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 72.31 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 21.6 tp -66.24 130.6 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 63.15 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 30.2 mt -95.24 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 74.24 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 93.96 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.12 110.407 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -126.47 167.0 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.32 109.267 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 t -71.94 -168.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 53.24 109.972 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -72.77 -54.85 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 75.12 109.294 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.7 m -39.23 -30.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 73.54 110.045 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' SER . 1.9 mt-10 -87.01 -47.89 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.32 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 91' ' ' LEU . 50.5 tp -54.89 -58.53 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 75.54 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -29.48 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 74.43 110.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.0 t -45.15 -28.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.32 110.034 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.69 -41.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 73.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 7.8 mt -75.32 165.15 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.31 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.465 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 67.9 m-80 -126.78 103.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 74.53 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.59 -58.01 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 54.2 109.306 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.16 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 62.45 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.9 t -113.65 -18.67 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 74.22 110.359 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CD2' HD11 ' A' ' 140' ' ' ILE . 3.0 m-85 -74.03 -173.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 64.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.4 m -143.99 -175.76 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 62.43 109.967 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.14 169.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 73.44 109.314 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' TYR . 2.2 m -149.01 105.78 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.24 110.394 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 111' ' ' TYR . 3.0 tt -94.45 128.48 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 75.31 109.353 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -133.44 150.34 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 64.42 110.024 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 106' ' ' MET . 67.5 m -132.52 144.18 50.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 73.13 110.411 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.66 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 72.33 109.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -63.24 -12.94 32.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 73.55 110.983 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -91.15 -21.86 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.03 110.271 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.421 ' HA ' ' CG2' ' A' ' 102' ' ' THR . 3.4 ttp 59.54 20.33 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 73.21 111.023 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.35 -16.02 22.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 71.12 109.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.6 p -132.12 152.47 51.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.24 110.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.447 ' CG1' ' CD2' ' A' ' 100' ' ' LEU . 16.2 t -145.66 155.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 73.42 109.239 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.509 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 5.1 m-85 -146.5 151.87 38.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 75.43 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 12.4 m-85 -117.88 74.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 73.31 111.026 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 83.3 m-85 -64.02 113.89 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 74.23 111.019 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 114' ' ' ASN . 2.4 mt -82.66 127.7 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 73.51 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 113' ' ' ILE . 3.2 m-80 -40.02 117.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 64.22 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -136.73 12.4 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 74.11 109.253 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -60.16 -47.59 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 72.42 108.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 1.1 m-20 -92.72 57.62 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.32 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -71.68 -45.57 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.5 110.403 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.32 -28.37 69.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 73.21 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.59 -11.7 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 71.53 109.299 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 0.8 OUTLIER -85.38 -63.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.43 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 124' ' ' SER . 2.8 t -93.89 -65.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 72.34 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 37.19 32.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 71.1 111.003 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 122' ' ' VAL . 94.8 p -82.85 -75.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 73.24 110.017 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.417 ' N ' ' OG ' ' A' ' 124' ' ' SER . 19.0 m-20 -157.13 135.97 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 73.13 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.09 -13.8 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 71.12 109.259 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.91 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.5 110.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.3 OUTLIER -111.4 46.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 74.42 109.604 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.417 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 3.4 t80 -78.62 -42.16 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.43 111.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.509 ' O ' ' CG2' ' A' ' 134' ' ' ILE . 2.4 mm? -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.11 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.1 p -90.03 -50.74 5.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 75.33 110.383 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.403 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 12.2 ttt180 -66.11 -17.05 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.21 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.651 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 63.1 t90 -85.81 -62.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.31 108.058 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -52.59 -54.43 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 73.44 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.7 t -56.76 -16.83 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.12 109.983 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.692 ' CD2' ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -92.43 -33.81 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 75.42 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 16.2 m-85 -94.15 -2.44 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.54 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.2 tp -88.14 -22.6 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 75.21 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.417 ' NH2' ' CG1' ' A' ' 146' ' ' VAL . 46.2 mtt-85 -68.5 -7.93 36.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.43 110.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.507 HD11 ' CD2' ' A' ' 96' ' ' PHE . 13.5 mt -90.27 -10.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 73.3 109.294 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.41 -28.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.5 111.021 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.56 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.07 119.93 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.13 109.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.465 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 5.3 mt -98.68 2.72 47.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 72.13 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.43 -17.06 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.23 109.34 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 0.8 OUTLIER -105.87 109.34 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.32 110.958 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.417 ' CG1' ' NH2' ' A' ' 139' ' ' ARG . 0.0 OUTLIER -117.82 96.04 48.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.5 109.31 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 75.44 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.478 ' OG ' ' CG1' ' A' ' 58' ' ' VAL . 1.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.001 -0.37 . . . . 75.32 110.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.24 20.79 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.45 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 33.3 tp -50.68 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 75.15 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -54.11 166.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 62.42 110.392 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -71.36 -44.93 13.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 70.44 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -11.57 21.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 75.3 111.019 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -88.74 -36.03 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 72.51 110.334 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CE1' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -84.29 -20.25 32.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 74.44 111.023 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 17.7 m-20 -79.27 -16.51 56.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 64.22 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -72.35 -23.87 61.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 74.25 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.4 mt-30 -111.56 15.7 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 73.41 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -62.77 -48.1 86.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.31 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 74.21 110.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.6 m-20 -90.91 -36.6 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 71.35 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG12 ' CG1' ' A' ' 134' ' ' ILE . 24.5 t -66.56 -54.59 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 72.51 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' O ' ' CG2' ' A' ' 19' ' ' THR . 9.8 ptt180 -63.5 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 73.23 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' OG1' ' A' ' 19' ' ' THR . 2.1 t -51.21 -44.07 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 64.53 109.976 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -87.23 -30.9 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 72.01 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 36' ' ' LEU . 7.3 tp -57.84 -19.99 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 75.1 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 82.2 p -63.79 -11.77 29.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.01 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -78.51 -26.8 45.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 74.42 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.574 ' CE3' HG22 ' A' ' 24' ' ' VAL . 4.6 t90 -59.42 134.46 57.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 74.14 108.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.94 -10.26 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 73.42 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 18.4 mmmt -81.75 -26.25 34.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 74.31 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG22 ' CE3' ' A' ' 21' ' ' TRP . 87.1 t -69.38 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.14 109.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -112.32 -37.57 4.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 72.33 110.287 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -127.13 136.12 51.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 73.52 110.282 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -119.57 106.14 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 73.32 109.268 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -129.67 135.58 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 73.4 110.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 15.2 p-10 -96.74 164.0 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 65.54 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.6 m -138.71 168.34 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 74.42 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -91.7 37.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 73.1 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -177.34 36.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 73.05 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.87 -124.22 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 71.13 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -162.94 149.33 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 63.43 109.307 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.7 tm0? -130.04 115.26 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 55.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -123.9 172.17 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.52 109.298 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.6 96.69 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 74.44 109.266 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG12 ' CH2' ' A' ' 21' ' ' TRP . 2.8 t -85.13 148.62 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 75.32 109.27 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.19 79.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 74.51 110.249 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD12 ' CD1' ' A' ' 90' ' ' ILE . 14.4 mt -51.48 -45.93 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 72.24 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -136.51 158.89 43.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 73.04 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -61.45 -13.34 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 75.3 110.375 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.0 12.61 6.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 63.41 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 m -129.09 156.94 43.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 73.02 110.387 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 38' ' ' VAL . 2.2 tm? -136.24 143.82 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.41 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD23 ' CD2' ' A' ' 63' ' ' PHE . 1.1 tm? -128.27 104.99 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 74.4 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 0.9 OUTLIER -90.53 121.78 32.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 73.23 110.292 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD13 ' CZ ' ' A' ' 141' ' ' PHE . 0.4 OUTLIER -108.79 128.42 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 72.3 109.36 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 3.9 m170 -124.39 104.04 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 74.5 109.595 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 HD11 ' CZ3' ' A' ' 133' ' ' TRP . 13.8 tt -85.12 143.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 73.31 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 14.4 p90 -154.8 -178.49 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 74.32 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CD1' HD21 ' A' ' 4' ' ' LEU . 32.6 t80 -98.36 143.14 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.12 111.008 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' HIS . 17.2 t0 -113.94 82.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 73.14 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.491 ' CE1' ' CD2' ' A' ' 52' ' ' TYR . 50.3 m-70 -55.96 -18.81 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.33 109.626 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -57.01 -43.61 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 75.34 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -122.56 3.11 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 75.34 110.979 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 32.6 m-70 60.21 49.09 7.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 73.3 109.612 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.478 ' CG1' ' OG ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -150.24 164.03 22.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 71.3 109.318 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 147.46 33.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 73.41 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 10.3 t -128.71 179.92 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.45 109.983 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 5.4 mt -134.83 143.01 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 74.53 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 0.5 OUTLIER -155.42 118.45 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 75.54 109.29 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 21.2 p90 -134.27 171.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.33 110.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 13.8 mtm180 -140.78 124.9 17.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 75.43 110.275 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 72.3 mt -67.0 146.92 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 74.03 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 86.0 m95 -139.98 154.11 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.21 108.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.55 97.66 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 75.21 110.019 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -66.87 123.71 20.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 73.11 109.312 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.65 109.43 16.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 72.02 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 34.83 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.42 110.425 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -42.89 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 65.44 110.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.9 mt-10 -105.81 -11.57 16.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 71.24 110.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.77 52.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.44 109.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -112.8 -3.47 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 73.4 109.268 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t 70.75 41.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 71.2 110.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.456 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -80.03 175.02 11.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 70.44 110.023 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 pp -169.33 162.92 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 63.43 109.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.82 134.5 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.54 110.27 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 7.3 tp -55.12 125.32 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 75.15 109.357 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 30.1 mt -90.42 142.66 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 71.1 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -137.04 96.26 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.24 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -129.86 167.17 18.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 74.33 109.304 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -65.3 -171.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.33 110.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' ARG . 67.4 m-20 -73.12 -36.43 66.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 63.24 109.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -48.26 -42.24 30.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 74.3 109.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 3.3 mt-10 -82.55 -45.23 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 73.24 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.21 -20.06 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.15 109.273 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.9 tmt_? -89.54 -20.51 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 71.34 110.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -59.73 -15.99 24.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 75.34 110.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -123.77 -47.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 74.51 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 63' ' ' PHE . 3.2 mt -79.34 173.24 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.2 109.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -136.48 106.07 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 72.3 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.81 -58.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.44 109.252 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.96 -81.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 51.1 111.04 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.9 t -113.59 -20.76 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 71.54 110.373 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.36 -176.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.54 110.965 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -144.88 160.0 41.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 73.24 109.965 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.27 168.53 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.04 109.324 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -141.99 109.53 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 72.34 110.424 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.516 HD12 ' CZ ' ' A' ' 111' ' ' TYR . 5.4 tt -90.37 126.3 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 52.34 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -119.15 137.73 53.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 41.33 109.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.466 ' CG2' HG23 ' A' ' 109' ' ' VAL . 12.7 m -144.67 151.49 39.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 73.01 110.388 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -98.07 161.45 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.03 109.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -52.06 -37.72 54.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.2 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -29.29 53.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 70.33 110.312 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 31.9 mtp 62.24 24.09 14.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 64.42 111.023 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.32 -35.36 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 74.24 109.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m -110.28 133.25 53.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 70.33 109.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 102' ' ' THR . 85.1 t -146.13 161.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 70.42 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 109' ' ' VAL . 1.5 m-85 -153.29 179.55 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.21 110.998 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 41.4 m-85 -137.67 81.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.55 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 80.8 m-85 -70.84 108.54 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 71.13 111.03 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 114' ' ' ASN . 5.9 mt -69.49 146.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 74.25 109.323 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.513 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -66.92 110.32 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 74.12 109.308 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 32.9 t30 -129.73 38.06 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 73.15 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.09 -45.7 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 62.42 108.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 1.0 OUTLIER -95.3 61.83 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 73.41 109.312 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 97.3 m -65.82 -60.21 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 74.45 110.387 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.34 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.54 -12.1 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.42 109.325 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 11.1 m-20 -84.8 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.45 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.573 HG13 ' CE1' ' A' ' 129' ' ' TYR . 7.0 p -104.96 -51.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.43 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.463 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 37.41 38.33 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 74.53 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -73.93 -80.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 62.43 109.975 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -161.27 138.92 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.45 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.457 ' CG1' ' CD1' ' A' ' 2' ' ' LEU . 41.1 t -62.82 -14.01 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.24 109.331 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.32 -67.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 73.44 110.279 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -116.65 46.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 73.43 109.589 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 122' ' ' VAL . 3.7 t80 -75.24 -37.46 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.13 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 7' ' ' TYR . 2.6 mm? -58.44 -28.81 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 75.45 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 18.3 p -88.53 -49.34 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 64.11 110.433 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -66.25 -16.86 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 73.24 110.356 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.646 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 69.9 t90 -87.08 -60.92 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.948 -1.13 . . . . 73.43 107.948 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 138' ' ' ILE . 2.5 tp -54.18 -54.42 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 74.53 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.423 ' HA ' ' CG2' ' A' ' 138' ' ' ILE . 41.3 t -57.43 -15.62 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 74.04 110.011 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.475 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -93.89 -34.67 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.1 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 9.0 m-85 -94.35 -2.24 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 73.13 111.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.8 tp -84.22 -29.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 72.32 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 139' ' ' ARG . 14.5 mtm105 -60.11 -30.11 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.23 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.75 -9.37 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 71.01 109.299 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 48' ' ' LEU . 98.0 m-85 -119.05 -31.66 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.31 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.57 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 1.1 p30 -148.51 107.46 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 64.45 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.4 mt -86.25 3.25 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 73.34 109.281 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.62 -12.08 17.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 73.12 109.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 18.3 t80 -121.02 108.92 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.23 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.13 94.32 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 75.11 109.339 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 73.1 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.55 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 1.9 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.009 -0.367 . . . . 71.14 110.009 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ptm -118.16 -11.13 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 65.01 110.974 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 5.8 tp -50.25 98.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 73.34 109.294 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.481 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 71.0 p -73.18 -167.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 61.45 110.426 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.614 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -75.64 -46.06 4.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 74.4 109.283 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.98 -7.73 19.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 72.13 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.53 -37.98 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 72.21 110.276 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -88.63 -35.89 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 72.51 110.977 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.569 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.1 t-20 -65.09 -17.91 64.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.41 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -73.21 -22.98 60.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.25 110.265 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.435 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 3.5 mt-30 -118.37 18.87 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 74.45 110.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.569 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -62.57 -47.84 87.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.42 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.17 9.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 72.43 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.5 m-20 -90.83 -33.64 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.51 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 16.3 t -70.22 -54.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 65.43 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' CG2' ' A' ' 19' ' ' THR . 19.6 ptt180 -64.58 -34.74 78.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.52 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -52.53 -44.0 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 61.04 110.015 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' ' CB ' ' A' ' 147' ' ' PRO . 3.2 pp -86.57 -31.91 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 73.55 109.259 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 36' ' ' LEU . 5.8 tp -56.37 -23.07 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.14 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 68.8 p -57.08 -16.82 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.11 110.415 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -74.24 -30.47 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.4 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.57 ' CZ3' HD13 ' A' ' 138' ' ' ILE . 1.9 t90 -55.64 128.13 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.54 108.032 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.97 -11.39 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 74.13 109.28 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -82.43 -16.06 50.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 71.34 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 51.8 t -78.63 123.46 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 75.02 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.02 -25.92 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 62.45 110.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -125.51 132.94 52.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 75.44 110.334 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mm -126.2 109.06 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.31 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -143.57 146.17 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 72.22 110.247 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -108.07 157.08 18.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 73.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 1.3 m -131.66 175.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 52.23 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.45 92.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.41 110.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 74.03 49.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 75.23 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 174.55 -174.62 46.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 63.42 111.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -149.26 144.71 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 63.44 109.319 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -129.38 111.8 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 74.52 110.274 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.01 168.99 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.05 109.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.78 95.12 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.34 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG13 ' CH2' ' A' ' 21' ' ' TRP . 5.5 t -82.29 123.93 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 73.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -85.42 79.67 9.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 71.14 110.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 90' ' ' ILE . 16.1 mt -55.62 -37.1 67.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 75.33 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 18.2 ttmt -145.32 157.84 43.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 73.54 109.276 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.14 -15.65 15.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.1 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -130.01 20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 74.03 109.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 34.6 m -133.72 151.84 51.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.22 110.396 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -135.24 139.32 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.32 109.261 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.537 HD22 ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -125.93 107.39 10.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 73.13 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 45' ' ' LEU . 23.9 mt-10 -85.89 107.12 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.34 110.272 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 ' CZ ' ' A' ' 141' ' ' PHE . 1.3 tt -96.19 140.8 30.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.04 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -134.96 126.57 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.54 109.643 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 6.9 tt -105.93 127.07 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.35 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -138.89 172.53 12.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 74.13 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CG ' HD22 ' A' ' 4' ' ' LEU . 61.5 t80 -102.32 150.08 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.43 110.973 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.13 111.19 20.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 64.32 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -81.04 3.74 22.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 71.12 109.606 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -85.95 -40.36 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 74.24 109.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.04 -7.67 9.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.33 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 64.7 51.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.42 109.579 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.33 165.3 18.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 73.42 109.337 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.3 32.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 74.42 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 13.1 t -124.38 171.4 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 73.11 110.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.56 HD13 ' CZ2' ' A' ' 133' ' ' TRP . 13.6 mt -138.54 137.54 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.41 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 25.8 ttpt -155.58 123.4 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 74.21 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.537 ' CD1' HD22 ' A' ' 46' ' ' LEU . 6.7 p90 -136.45 166.73 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 73.53 110.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.635 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 5.0 mtp180 -132.51 124.85 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 75.31 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' CD2' ' CD1' ' A' ' 40' ' ' LEU . 64.7 mt -72.85 138.66 46.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 74.31 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.635 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 89.4 m95 -127.93 171.21 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 73.34 108.03 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -142.54 97.47 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 72.43 109.998 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 122.68 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 73.43 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.4 113.34 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 75.35 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 29.79 5.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 63.41 110.378 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.44 -42.08 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 73.24 110.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 2.9 mt-10 -105.31 -14.95 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 63.22 110.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.4 t70 81.74 48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.11 109.278 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.96 -2.12 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 73.04 109.289 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t 73.56 43.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 71.15 110.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.453 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -78.14 176.75 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.23 109.991 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD12 ' CE3' ' A' ' 66' ' ' TRP . 3.8 pp -169.39 164.86 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 72.14 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' SER . 45.8 ttp85 -155.28 158.41 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.31 110.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.49 HD11 ' CE3' ' A' ' 66' ' ' TRP . 8.7 tp -73.13 130.55 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 72.42 109.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.19 162.64 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 72.22 109.268 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -155.18 104.84 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 71.14 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.43 167.07 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.35 109.278 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -71.07 -168.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 74.54 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -76.71 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 70.43 109.266 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 t -51.16 -32.74 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 63.33 110.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -82.54 -29.61 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.23 110.255 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 91' ' ' LEU . 2.3 tm? -83.24 -15.16 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 61.13 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -81.09 -19.13 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 73.55 110.271 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -65.4 -22.19 66.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 74.25 109.995 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -112.5 -34.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 71.41 109.272 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 19.1 mt -95.27 -179.67 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.43 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.9 m-80 -144.69 101.32 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 72.11 109.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.97 -58.38 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.51 109.334 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.62 -81.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 72.23 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -118.75 -8.25 10.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 72.22 110.396 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.0 -171.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 72.35 110.947 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -149.23 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.31 109.986 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.4 p -153.73 160.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 70.01 109.293 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -136.89 132.24 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.14 110.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD1' ' CE1' ' A' ' 111' ' ' TYR . 6.4 tt -92.2 136.54 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 75.42 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 23.0 t -129.32 132.66 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 74.2 109.985 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' A' ' 109' ' ' VAL . 24.0 m -129.77 154.08 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 73.35 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.04 155.79 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 74.23 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 51.6 tpp -60.94 -24.45 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.42 111.02 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -75.47 -13.14 60.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 64.41 110.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.1 mtt 52.9 22.46 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.11 110.994 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -37.21 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 61.04 109.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 m -124.35 132.57 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 72.32 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.448 ' CG1' HD21 ' A' ' 79' ' ' LEU . 2.9 p -134.74 163.1 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.14 109.276 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 101' ' ' SER . 0.8 OUTLIER -160.59 175.78 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.53 110.985 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.48 ' CE1' ' CD1' ' A' ' 100' ' ' LEU . 34.0 m-85 -121.92 157.76 30.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.01 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 34.2 m-85 -136.67 103.3 5.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 75.25 111.057 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.63 132.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 74.43 109.33 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.06 110.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.21 109.261 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -141.67 28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 74.01 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.68 -41.86 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.11 108.298 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.438 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 61.4 m-20 -115.16 84.67 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 75.3 109.338 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.498 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 21.1 m -78.88 -57.14 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.33 110.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 0' ' ' SER . 13.7 t70 -59.39 -26.12 64.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.25 109.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.79 -15.36 37.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 73.34 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 20.3 m-20 -94.53 -69.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.43 109.253 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 123' ' ' GLY . 8.0 p -82.56 -54.36 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.42 109.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.455 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 85.26 -19.9 20.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 42.43 111.001 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.588 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 12.4 t -38.09 142.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.8 . . . . 74.24 109.98 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.79 -178.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.14 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.5 t -84.33 -8.54 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.32 109.318 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.41 -67.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 74.03 110.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.08 47.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.5 109.628 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 124' ' ' SER . 2.1 t80 -77.04 -47.9 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.21 111.018 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 4.3 mm? -67.92 -21.39 65.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.21 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.4 p -89.72 -36.6 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.45 110.391 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.72 -16.51 36.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.45 110.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.56 ' CZ2' HD13 ' A' ' 61' ' ' ILE . 80.4 t90 -86.4 -39.3 16.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.34 108.033 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.526 HD12 ' CE2' ' A' ' 137' ' ' TYR . 9.6 tp -61.99 -47.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 72.42 109.29 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.474 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 46.5 t -72.82 -3.68 27.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 73.13 109.982 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.454 ' CD1' ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.53 -44.22 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 72.42 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.624 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -85.99 -48.62 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 72.22 111.021 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.57 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 5.2 tp -51.26 -30.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 72.1 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 135' ' ' SER . 9.3 mtp180 -59.01 -34.51 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 74.52 110.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASN . 74.4 mt -64.59 -10.82 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.54 109.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.576 ' CZ ' HD12 ' A' ' 48' ' ' LEU . 5.7 m-85 -116.9 -27.47 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.52 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -147.98 100.65 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 71.22 109.269 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.8 2.66 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 72.5 109.289 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -102.2 -25.84 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 74.12 109.266 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 4.2 t80 -99.52 104.88 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 73.41 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 96.63 36.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 72.15 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 135' ' ' SER . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 54.55 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.021 -0.363 . . . . 73.33 110.021 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.91 22.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 73.33 111.005 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.1 136.72 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 72.41 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 49.5 p -81.38 -174.02 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.13 110.401 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -77.58 -44.71 2.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 75.31 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -11.79 21.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 75.31 111.013 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 4.9 mm-40 -88.27 -33.64 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.54 110.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.97 -19.71 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 74.43 110.993 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 5.8 t-20 -76.11 -15.15 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 74.41 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -71.36 -25.46 62.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 73.22 110.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.434 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -111.92 15.34 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 72.43 110.296 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.587 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -62.91 -46.86 87.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 71.31 109.283 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.97 0.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 61.45 111.001 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.8 m-20 -91.68 -34.72 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 74.34 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 4.0 t -71.67 -47.13 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 73.33 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 19' ' ' THR . 31.0 ptt180 -68.8 -18.63 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.34 110.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' OG1' ' A' ' 19' ' ' THR . 13.3 t -75.55 -37.52 59.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 74.21 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' CD1' HD22 ' A' ' 18' ' ' LEU . 4.6 pp -88.62 -29.34 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 72.33 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 17' ' ' LEU . 8.8 mt -71.27 -28.18 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.34 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -61.97 -12.46 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 73.54 110.37 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.65 -20.97 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.44 109.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.573 ' CZ3' HG22 ' A' ' 38' ' ' VAL . 1.4 t90 -48.71 130.55 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 74.42 108.046 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 -1.53 57.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 75.41 109.234 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -101.58 -26.29 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 75.02 109.306 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 HG22 ' CE3' ' A' ' 21' ' ' TRP . 15.9 t -62.25 134.09 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 73.32 109.276 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 22.2 tt0 -111.71 -31.87 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 73.12 110.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -125.91 143.5 51.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.24 110.283 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 mm -129.49 103.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 64.12 109.272 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -128.39 136.36 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 64.34 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -109.45 139.42 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 74.14 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 34' ' ' LEU . 26.5 m -109.98 169.69 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 63.22 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.547 ' CG ' ' O ' ' A' ' 31' ' ' GLN . 6.8 tt0 -90.95 21.41 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 74.22 110.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -153.93 26.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 70.3 109.305 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.57 -121.33 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 53.02 110.995 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -164.55 148.17 9.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 73.44 109.338 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.473 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.2 tm0? -132.86 110.88 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 74.3 110.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.46 168.81 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 72.45 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 4.4 m-20 -127.99 95.45 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 74.13 109.257 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.573 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 2.2 t -88.06 148.55 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 73.2 109.332 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 17.3 tpp180 -106.1 78.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.53 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' ' CD1' ' A' ' 90' ' ' ILE . 11.8 mt -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 74.24 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.8 ttmt -144.97 157.37 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 75.33 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -58.9 -19.81 45.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.53 110.382 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.74 21.8 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 74.54 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 66' ' ' TRP . 13.6 m -139.01 141.66 38.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 72.03 110.376 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -124.23 129.38 50.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 73.1 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 63' ' ' PHE . 1.5 tm? -108.92 98.4 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 71.11 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.9 tt0 -80.38 105.43 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.31 110.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 141' ' ' PHE . 1.8 tt -96.19 129.82 43.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 74.13 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -133.21 126.77 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 75.52 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.513 HD13 ' CZ3' ' A' ' 133' ' ' TRP . 12.2 tt -103.86 140.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 73.3 109.349 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 39.4 p90 -153.82 139.49 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.32 111.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CB ' HD21 ' A' ' 4' ' ' LEU . 80.0 t80 -68.16 136.28 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 74.43 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -100.62 109.54 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 74.22 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -79.78 1.46 26.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 73.23 109.631 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 56' ' ' TYR . 2.2 m -85.36 -35.31 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 73.45 109.263 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 55' ' ' VAL . 42.1 m-85 -122.42 -3.59 8.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 64.33 111.012 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.411 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 9.2 m-70 67.29 23.75 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 70.14 109.613 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -127.93 161.89 53.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 64.13 109.345 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 149.16 36.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 72.21 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -123.49 174.73 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.13 110.006 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 20.3 mt -138.98 129.42 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.44 109.26 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -142.74 133.11 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 73.51 109.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.674 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 31.5 p90 -144.35 157.33 44.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.42 111.027 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.8 mtm180 -127.88 122.54 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.11 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 35.1 mt -66.83 147.44 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 72.34 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 86.8 m95 -140.57 154.36 46.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 74.33 107.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 80' ' ' LEU . 6.2 t -126.15 97.35 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 75.54 110.063 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD11 ' NH1' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -66.42 120.52 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.22 109.279 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.26 112.51 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.03 109.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 32.97 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 73.35 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -42.7 -43.24 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.54 110.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.6 mt-10 -104.97 -13.77 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.44 110.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t0 81.85 50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 75.42 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.38 -8.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.31 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 80.09 42.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.1 109.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -75.37 -177.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 64.33 110.015 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.8 pp -174.49 163.46 3.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 74.34 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 130.97 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 74.3 110.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 11.5 tp -56.69 134.36 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 74.34 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 67' ' ' SER . 72.8 mt -99.89 140.93 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 63.3 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.0 m -136.36 87.68 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 75.2 110.415 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.87 167.19 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.55 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 m -57.7 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 60.51 109.98 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -81.37 -27.84 34.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.32 109.304 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -64.26 -42.32 96.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 72.11 110.02 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . 3.7 mm-40 -72.92 -46.83 50.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 72.14 110.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.608 ' CD1' ' CE1' ' A' ' 111' ' ' TYR . 0.6 OUTLIER -57.4 -44.05 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 74.22 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -54.95 -18.53 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 71.12 110.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 8.9 t -57.08 -20.21 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 73.51 110.026 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -118.64 -40.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 72.44 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.674 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 10.9 mt -86.49 178.37 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.53 109.307 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -140.1 105.1 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 73.24 109.254 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.613 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.98 -57.96 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.32 109.334 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.5 -81.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 23.14 110.972 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.8 t -118.23 12.14 13.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 0.771 . . . . 72.13 110.429 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -103.85 -177.03 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 75.52 111.047 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.4 t -145.81 166.66 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 63.41 110.019 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 99' ' ' THR . 6.7 p -140.7 166.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 63.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.4 ' N ' ' CG2' ' A' ' 98' ' ' VAL . 5.5 m -135.06 107.18 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 75.15 110.38 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -97.42 123.72 41.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 73.11 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 t -119.62 135.42 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 73.4 110.021 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.459 ' OG1' ' CG1' ' A' ' 109' ' ' VAL . 17.2 m -125.51 151.17 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 75.31 110.418 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -88.74 164.94 15.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 74.03 109.328 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.4 mtt -63.52 -11.75 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 64.14 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -91.14 -10.89 40.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 75.32 110.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtt 50.78 25.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.05 110.98 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.42 -31.59 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 72.41 109.295 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 128.61 56.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 75.25 110.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.459 ' CG1' ' OG1' ' A' ' 102' ' ' THR . 18.0 t -146.46 153.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 73.32 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -146.75 168.06 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 75.44 110.994 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE1' ' CD1' ' A' ' 87' ' ' LEU . 39.0 m-85 -123.24 78.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 75.21 110.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.555 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 87.8 m-85 -69.76 100.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 75.52 110.989 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -54.11 143.36 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 75.14 109.305 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.7 105.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 65.32 109.306 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 14.7 t30 -126.55 65.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 74.31 109.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 12.6 t -103.29 -55.54 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 75.05 108.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.436 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 20.8 p-10 -90.55 61.23 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.32 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.5 m -67.13 -49.56 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 74.5 110.425 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -67.45 -30.72 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.43 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.6 -10.76 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 61.31 109.314 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 6.3 m-20 -84.44 -69.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 74.24 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.533 ' CG1' ' CZ ' ' A' ' 129' ' ' TYR . 3.1 p -99.07 -50.33 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 60.55 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 35.95 61.6 0.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 73.12 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -76.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 62.43 109.972 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.06 140.35 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 71.31 109.289 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.91 -21.35 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 74.34 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -48.15 -67.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.3 110.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.401 ' O ' ' OG1' ' A' ' 131' ' ' THR . 15.8 m-70 -127.6 47.0 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.23 109.584 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.533 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 5.8 t80 -65.44 -27.6 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.31 111.033 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -61.71 -30.48 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 74.3 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 128' ' ' HIS . 20.3 p -83.67 -46.25 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 63.11 110.427 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -71.99 -17.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 74.15 110.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 72.3 t90 -86.79 -58.97 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 75.21 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 138' ' ' ILE . 9.2 tp -55.53 -53.98 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 73.33 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.435 ' N ' ' CG2' ' A' ' 134' ' ' ILE . 41.6 t -54.06 -18.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 74.24 109.991 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.682 ' CD2' ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -90.75 -33.77 15.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 70.31 109.301 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.682 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 14.6 m-85 -94.26 -2.54 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.43 110.975 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.567 HG12 ' CE1' ' A' ' 145' ' ' PHE . 2.9 tp -83.27 -27.0 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 71.11 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -69.27 -5.75 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.32 110.31 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.0 mt -92.92 -10.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 73.43 109.261 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.571 ' CE1' HD12 ' A' ' 48' ' ' LEU . 94.9 m-85 -115.96 -39.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 75.22 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.465 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -147.89 113.75 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 75.21 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.7 mt -85.94 3.38 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.34 109.268 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.24 -15.74 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 74.43 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 138' ' ' ILE . 42.1 t80 -76.73 112.25 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 74.22 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.85 102.71 46.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 73.23 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 71.21 111.044 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 119' ' ' ASP . 3.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.965 -0.383 . . . . 71.34 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptp -81.25 -16.43 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 75.41 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 21.2 tp -50.63 100.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.34 109.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.6 p -64.88 -172.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 71.52 110.406 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -76.51 -45.57 3.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 75.13 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.92 -11.05 21.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 72.32 111.048 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 30.8 mm-40 -88.78 -32.92 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.11 110.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -88.28 -20.32 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 75.32 111.007 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 12.4 m-20 -79.75 -15.25 57.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 70.13 109.256 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 71.11 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -114.5 15.84 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.44 110.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.93 -47.46 98.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.22 109.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 65.24 111.001 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.54 -35.65 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 62.53 109.292 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 39.2 t -65.4 -50.77 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 60.43 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' O ' ' CG2' ' A' ' 19' ' ' THR . 8.2 ptm180 -65.25 -29.65 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 75.43 110.322 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 19' ' ' THR . 3.3 t -59.4 -41.99 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 73.32 109.984 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -85.84 -32.44 21.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 63.3 109.335 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 4.4 tp -55.99 -23.51 33.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.41 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 81.7 p -57.85 -29.17 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 73.23 110.417 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 57.1 mmtt -58.49 -21.13 50.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.55 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.598 ' CZ3' ' CG2' ' A' ' 38' ' ' VAL . 1.3 t90 -71.09 110.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 73.34 107.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.33 -13.25 58.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 71.01 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.52 -26.25 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 72.2 109.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 41.4 t -61.5 138.68 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.45 109.259 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' CD ' ' NH2' ' A' ' 39' ' ' ARG . 13.0 tt0 -115.92 -34.75 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.45 110.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -124.99 155.68 39.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.41 110.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' CD1' HD22 ' A' ' 36' ' ' LEU . 2.2 mm -138.49 106.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 70.02 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.72 151.45 51.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 73.23 110.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.92 151.15 30.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.1 109.333 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG21 ' CA ' ' A' ' 34' ' ' LEU . 6.3 m -128.48 157.43 40.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 73.42 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 8.7 tt0 -59.09 92.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.12 110.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER 81.98 58.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 75.01 109.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.37 -160.91 30.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 74.44 111.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -158.98 154.77 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 72.31 109.272 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.483 ' NE2' ' HE2' ' A' ' 47' ' ' GLU . 1.8 tm0? -139.31 114.36 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.34 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -122.93 169.05 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 74.24 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.5 95.57 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.04 109.277 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.598 ' CG2' ' CZ3' ' A' ' 21' ' ' TRP . 59.6 t -86.66 112.37 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 74.14 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' CD ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -82.4 94.51 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 74.34 110.297 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD12 ' CG1' ' A' ' 38' ' ' VAL . 9.0 mp -76.98 -40.97 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.22 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -136.79 156.81 48.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.05 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 m -59.7 -15.73 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.35 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -131.38 22.0 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.34 109.341 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 10.5 m -139.74 138.11 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 73.22 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -131.03 133.92 46.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 74.23 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 63' ' ' PHE . 1.6 tm? -114.46 85.98 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.53 109.338 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.2 tp10 -67.3 107.53 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 71.21 110.274 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.64 128.68 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 74.43 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.552 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 1.6 m170 -129.46 116.71 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 72.42 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -94.49 131.52 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.42 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.571 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 7.3 p90 -147.87 141.03 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.4 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD1' HD23 ' A' ' 4' ' ' LEU . 29.7 t80 -86.4 141.25 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 74.43 111.044 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' OD1' ' CG2' ' A' ' 55' ' ' VAL . 54.9 t0 -114.47 127.78 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.33 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -83.47 3.81 30.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.41 109.62 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 56' ' ' TYR . 55.2 t -70.24 -45.16 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.24 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CD2' HG11 ' A' ' 55' ' ' VAL . 61.0 m-85 -119.55 -0.23 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 73.54 111.009 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 64.94 48.5 2.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 75.24 109.554 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.478 ' CG1' ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.33 165.2 18.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 61.41 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 7' ' ' TYR . 18.6 Cg_endo -74.95 155.1 43.13 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 74.02 111.041 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.571 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 29.7 t -136.65 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 61.03 110.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD2' ' A' ' 137' ' ' TYR . 1.4 mp -130.36 148.09 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 73.11 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 16.9 ttpt -155.17 119.04 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 62.35 109.338 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD1' HD23 ' A' ' 46' ' ' LEU . 52.1 p90 -136.45 171.11 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.13 111.025 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 18.3 mtm180 -143.0 128.05 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 74.32 110.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 87' ' ' LEU . 64.3 mt -65.96 137.98 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 72.22 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 91.4 m95 -133.52 150.85 51.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.973 -1.121 . . . . 74.4 107.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 80' ' ' LEU . 60.4 p -125.23 97.6 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.2 109.992 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 122.5 18.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 74.1 109.317 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -117.67 113.75 22.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.03 109.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.19 34.01 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 70.31 110.387 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -55.64 -36.19 66.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 71.4 110.256 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.56 -1.98 20.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 75.22 110.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.33 47.85 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 61.14 109.346 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.42 ' CG2' ' HB2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -116.08 -8.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.45 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.8 t 79.17 50.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.15 110.033 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -176.17 5.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.43 110.009 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.9 pp -172.75 167.15 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 75.52 109.275 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' HD11 ' A' ' 77' ' ' LEU . 17.0 tpt180 -155.18 133.36 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 74.23 110.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 21.3 tp -60.99 132.8 55.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 73.22 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 64.1 mt -98.71 162.67 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 70.43 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 p -153.04 110.97 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 75.35 110.412 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -138.57 167.0 22.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 65.33 109.291 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -71.04 -171.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 72.23 110.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' ARG . 36.1 m-20 -71.46 -55.52 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 53.2 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -50.62 -35.02 28.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 55.43 109.985 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.31 -32.47 26.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 72.21 110.273 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 65' ' ' LEU . 1.3 tm? -77.91 -13.0 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.44 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -90.05 -19.57 24.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 71.14 110.323 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -53.34 -20.48 4.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 71.24 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.02 -43.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 71.21 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 87' ' ' LEU . 4.5 mt -80.99 160.52 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 65.34 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 64.8 m-80 -122.79 100.71 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 73.23 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -87.36 -57.92 2.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 73.2 109.272 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.89 -82.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 70.31 111.058 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.5 t -112.72 -22.41 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 71.35 110.458 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -73.99 166.3 23.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.43 110.986 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -127.63 177.55 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.13 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 99' ' ' THR . 2.9 t -149.32 163.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 73.41 109.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.509 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 2.5 m -147.62 108.85 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 54.43 110.405 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 111' ' ' TYR . 14.4 tp -95.13 121.16 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.33 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -115.73 158.54 22.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 72.11 109.994 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 m -127.76 135.84 50.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 73.33 110.368 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.85 166.24 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 65.2 109.324 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 34.9 ttm -58.87 -27.55 65.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.3 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.38 -17.14 58.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 70.54 110.346 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 mtp 49.3 26.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 65.44 111.01 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.49 -13.65 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 74.35 109.269 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -133.96 146.65 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 54.33 109.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 100' ' ' LEU . 2.3 t -137.63 140.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 74.25 109.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.432 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 2.6 m-85 -126.92 145.11 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 73.22 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 100' ' ' LEU . 26.9 m-85 -105.84 80.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 74.15 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 81.5 m-85 -68.74 116.05 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 75.04 110.977 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 137' ' ' TYR . 5.3 mt -74.24 132.79 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.43 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.96 113.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 65.12 109.34 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 8.7 t30 -142.3 93.84 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.34 109.309 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.42 -55.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 64.02 108.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 121' ' ' ASN . 7.1 m-20 -88.36 56.96 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 61.45 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.478 ' CG2' ' CG1' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -67.46 -32.87 74.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.12 110.389 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 0' ' ' SER . 1.1 t70 -78.23 -34.43 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.04 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.74 -10.56 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.42 109.259 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' ASP . 19.8 m-20 -83.67 -69.82 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 73.52 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 129' ' ' TYR . 9.8 p -95.38 -53.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.41 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.47 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 35.31 44.2 0.56 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 71.52 111.015 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 m -81.32 -78.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 75.43 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -162.85 139.31 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 71.52 109.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.9 t -62.63 -14.16 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 73.34 109.252 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.71 -67.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.2 110.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -118.09 47.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 75.21 109.602 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 3.8 t80 -75.07 -35.88 61.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 73.34 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.562 HD12 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -66.31 -26.8 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.44 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.1 p -83.44 -39.72 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 71.35 110.377 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -16.16 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 71.25 110.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.573 ' CH2' ' CD1' ' A' ' 61' ' ' ILE . 38.0 t90 -86.15 -29.47 23.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 73.34 108.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 138' ' ' ILE . 9.1 tp -87.39 -45.38 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 75.25 109.341 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.3 t -60.73 -28.13 68.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 72.44 110.008 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -81.5 -27.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.54 109.314 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -94.77 -12.19 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 70.44 110.984 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.544 HG12 ' CE2' ' A' ' 145' ' ' PHE . 3.7 tp -81.35 -17.73 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 74.21 109.352 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -75.32 -10.73 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 64.42 110.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 21.6 mt -89.49 -10.48 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 75.54 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CD1' HD13 ' A' ' 46' ' ' LEU . 97.9 m-85 -118.28 -29.91 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.51 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.553 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.2 121.08 8.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 71.44 109.34 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.462 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 4.2 mt -98.87 2.74 46.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 74.52 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -106.63 -16.87 14.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 72.4 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -107.8 111.03 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 73.55 110.999 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.29 102.32 45.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 73.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.473 ' CD ' HG21 ' A' ' 138' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 71.22 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.966 -0.383 . . . . 71.02 109.966 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt -120.9 -6.66 9.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 71.24 111.001 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 1.5 tp -50.6 108.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.55 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.493 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.7 p -76.22 -166.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.21 110.385 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -76.0 -45.64 3.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 75.2 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -75.0 -8.45 20.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 75.51 110.99 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 4.9 mm-40 -88.16 -37.85 15.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 52.51 110.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -82.94 -31.28 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.43 111.015 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.525 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.2 t-20 -67.28 -15.55 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 73.35 109.277 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -76.15 -36.25 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 72.23 110.259 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -100.92 11.25 39.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.44 110.304 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -60.84 -46.45 96.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 73.41 109.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 72.11 110.969 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.0 m-20 -90.46 -34.49 15.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 64.03 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 54.7 t -69.52 -50.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 74.3 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HD2' ' CD2' ' A' ' 34' ' ' LEU . 10.0 ptm180 -66.42 -18.83 65.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.05 110.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 19' ' ' THR . 13.3 t -75.59 -36.34 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 73.32 109.979 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -87.03 -32.29 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.32 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 36' ' ' LEU . 11.4 mt -59.33 -22.07 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.42 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 16' ' ' SER . 59.9 p -51.56 -30.61 21.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 61.34 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.19 -33.79 76.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 55.13 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.632 ' CH2' ' CG2' ' A' ' 38' ' ' VAL . 4.3 t90 -52.19 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 74.2 107.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.14 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 73.23 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB2' ' NE1' ' A' ' 21' ' ' TRP . 2.0 mtpp -70.98 -20.65 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 72.52 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG1' HG12 ' A' ' 27' ' ' ILE . 10.5 t -75.46 125.41 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 72.55 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.23 -38.1 7.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.14 110.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -125.47 131.85 52.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 75.15 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.5 mm -114.72 103.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.14 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.12 155.38 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.4 110.298 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -116.01 156.08 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.32 109.249 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 17.3 m -132.67 175.21 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 72.4 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 13.3 mt-30 -72.01 93.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 73.04 110.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 80.33 44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.45 109.335 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 173.94 -171.18 44.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 62.04 111.036 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -148.13 137.95 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 0.814 . . . . 74.42 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.439 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -112.79 112.66 24.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 72.23 110.29 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -116.01 145.56 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 73.4 109.311 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.64 100.54 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.53 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.632 ' CG2' ' CH2' ' A' ' 21' ' ' TRP . 23.7 t -91.11 139.46 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 75.13 109.306 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 42' ' ' THR . 4.4 tpt180 -103.09 90.72 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.11 110.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 HD13 ' CB ' ' A' ' 46' ' ' LEU . 10.7 mp -70.76 -41.01 72.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 72.14 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -138.63 155.25 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 74.44 109.313 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 39' ' ' ARG . 1.2 m -59.65 -17.21 31.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 61.52 110.43 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 19.86 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 72.31 109.269 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 m -136.22 150.41 48.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.04 110.433 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 1.6 tm? -144.02 131.26 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 74.13 109.275 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 63' ' ' PHE . 2.0 tm? -118.04 103.94 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 73.52 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' PHE . 2.0 tt0 -79.29 109.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 74.51 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD22 ' CZ ' ' A' ' 141' ' ' PHE . 1.7 tm? -94.51 119.04 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 73.23 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 7.2 m170 -119.26 108.19 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 63.21 109.603 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.427 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -88.66 129.7 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 63.44 109.267 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 9.2 p90 -146.0 159.59 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.42 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CD1' HD21 ' A' ' 4' ' ' LEU . 2.7 t80 -103.49 149.7 24.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 75.02 110.95 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.46 ' OD1' ' CG2' ' A' ' 55' ' ' VAL . 65.5 t0 -121.74 132.64 54.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 72.33 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.446 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.4 OUTLIER -87.25 3.72 45.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 72.0 109.551 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.46 ' CG2' ' OD1' ' A' ' 53' ' ' ASP . 55.4 t -71.57 -47.88 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 74.24 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -117.22 1.02 12.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 75.33 111.023 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 62.44 51.57 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 72.35 109.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.64 167.58 13.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 64.15 109.342 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.03 170.26 20.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 75.34 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.564 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 16.6 t -148.5 171.33 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.24 109.975 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.608 ' CD1' ' CB ' ' A' ' 137' ' ' TYR . 33.2 mt -132.47 136.23 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 72.22 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 112' ' ' TYR . 21.8 tttt -149.03 131.51 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 74.1 109.247 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CD1' HD23 ' A' ' 46' ' ' LEU . 9.9 p90 -152.56 159.5 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 74.44 111.021 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.603 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -130.98 117.64 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 74.5 110.335 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' CD1' HD23 ' A' ' 82' ' ' LEU . 12.4 mt -58.21 145.28 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 70.22 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 95.6 m95 -131.83 151.0 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 75.43 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.46 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -124.82 97.76 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.22 109.99 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -67.19 126.24 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.24 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -119.21 112.38 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 71.11 109.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.61 36.52 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.11 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -38.02 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.42 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.09 -2.58 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 72.11 110.264 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 65.43 49.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.43 109.279 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.77 -8.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.35 109.297 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.1 t 79.83 45.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.4 109.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.13 177.01 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 71.13 109.959 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.49 165.95 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 52.4 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' LEU . 1.1 tpp85 -155.41 140.63 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 75.14 110.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 66' ' ' TRP . 13.6 tp -57.34 129.99 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 70.42 109.289 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 34.1 mt -93.17 162.5 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 74.24 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.6 p -154.76 109.32 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 72.41 110.391 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -139.54 166.92 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 71.14 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 m -62.35 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.42 109.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -47.0 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 70.1 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.89 -34.61 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 64.32 109.998 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.45 -33.13 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 71.14 110.276 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 91' ' ' LEU . 3.9 tp -76.99 -30.61 56.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 75.51 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -17.52 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 74.11 110.298 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 -21.06 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 74.41 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.29 -43.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 73.31 109.253 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 87' ' ' LEU . 6.0 mt -80.33 160.39 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 74.14 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -118.36 88.67 2.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 65.34 109.308 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.623 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -82.4 -56.97 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.12 109.297 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.07 -94.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 74.54 111.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -93.83 -24.51 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 73.21 110.415 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.47 -174.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.01 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 m -157.6 154.04 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 62.21 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.66 154.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 75.12 109.323 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -135.23 109.78 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.22 110.382 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 111' ' ' TYR . 31.5 tp -70.42 136.53 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 75.2 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 110' ' ' TYR . 2.0 t -147.04 158.02 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 74.22 109.999 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.464 ' CG2' HG11 ' A' ' 109' ' ' VAL . 3.1 p -124.04 167.3 14.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.45 110.432 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.53 170.75 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 72.32 109.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.425 ' CG ' ' N ' ' A' ' 105' ' ' GLU . 25.0 ptt? -48.85 -43.31 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 62.22 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -63.07 -28.62 70.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 70.01 110.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.6 ttm 62.09 18.28 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.43 110.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 -14.01 17.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 75.33 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -127.78 115.61 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 71.3 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 102' ' ' THR . 2.4 t -104.46 138.89 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.5 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.581 ' CD2' ' NZ ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -139.57 158.86 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 73.42 111.007 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' ' 100' ' ' LEU . 72.4 m-85 -109.56 118.53 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 74.51 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 62' ' ' LYS . 21.0 m-85 -97.56 117.94 32.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 74.44 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.578 HG22 ' CE2' ' A' ' 137' ' ' TYR . 34.8 mm -61.92 144.35 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.4 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.606 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -77.28 89.29 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 73.41 109.31 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 11.5 p-10 -113.31 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.34 109.23 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.0 p -117.35 -42.57 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.13 108.318 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ASN . 54.4 m-20 -92.85 25.53 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.3 109.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -54.72 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 73.31 110.404 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.06 -25.69 67.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 74.32 109.281 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.39 -12.2 46.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 74.12 109.277 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 117' ' ' ASP . 31.0 m120 -90.21 -69.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 74.34 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 129' ' ' TYR . 13.5 t -82.97 -64.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 73.43 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.39 26.53 7.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 71.42 111.009 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 t -64.78 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 74.12 109.994 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -166.11 133.56 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 65.24 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 2' ' ' LEU . 1.3 p -54.5 -20.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 73.15 109.312 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -45.5 -67.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 74.35 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.71 46.9 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.24 109.642 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 11.7 t80 -74.99 -32.7 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 71.1 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 134' ' ' ILE . 3.5 mm? -54.6 -28.25 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 72.45 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 45.7 p -88.56 -51.97 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 62.13 110.394 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 12.6 tpt180 -64.34 -15.21 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.4 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.527 ' CD2' ' HG2' ' A' ' 59' ' ' PRO . 47.2 t90 -89.69 -62.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.984 -1.117 . . . . 73.14 107.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 6.4 tp -50.59 -56.11 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 74.52 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 28.7 t -54.59 -16.35 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 63.12 110.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.469 ' CD2' ' CG2' ' A' ' 122' ' ' VAL . 1.4 tp -77.15 -56.55 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 62.11 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.608 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 81.3 m-85 -76.21 -14.78 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 73.42 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.466 HG22 ' CD ' ' A' ' 147' ' ' PRO . 2.0 tp -60.5 -31.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 74.33 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -69.51 -6.48 30.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 74.34 110.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.462 ' CG2' HD23 ' A' ' 93' ' ' LEU . 19.8 mt -92.89 -10.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.24 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.5 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 96.1 m-85 -115.54 -37.23 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.13 111.035 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.429 ' OD2' ' CB ' ' A' ' 145' ' ' PHE . 56.0 t0 -148.29 117.85 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 72.23 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.09 2.67 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.2 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.79 -15.64 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 61.43 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.4 t80 -107.75 108.45 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.32 111.003 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.25 97.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 72.23 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 74.33 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.464 ' CB ' HG11 ' A' ' 58' ' ' VAL . 2.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.017 -0.364 . . . . 74.4 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt -129.98 3.93 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 71.54 111.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 12.1 tp -55.64 106.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.04 109.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 69.7 p -74.89 -168.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.13 110.406 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -76.0 -45.84 3.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 72.02 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -8.39 20.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 74.42 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -88.41 -37.13 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.22 110.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CE2' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -87.42 -33.0 19.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 74.34 111.009 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE2' ' A' ' 7' ' ' TYR . 5.4 m-20 -71.21 -15.43 62.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 73.23 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.41 -23.61 61.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.15 110.349 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 20.6 mt-30 -112.57 18.02 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 70.13 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -59.96 -44.53 97.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.2 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 74.33 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 2.3 m-20 -94.05 -33.76 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 73.32 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 37.2 t -74.44 -53.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 74.02 109.305 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' CG2' ' A' ' 19' ' ' THR . 7.7 ptm180 -64.1 -18.73 64.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.34 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 10.4 t -74.19 -40.96 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.12 109.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.4 pp -82.6 -33.19 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.52 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 13.2 mt -54.7 -33.05 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 71.04 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 63.1 p -48.14 -23.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 74.35 110.416 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 63.9 mmtt -70.36 -40.71 73.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 74.5 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.628 ' CZ3' ' CD1' ' A' ' 138' ' ' ILE . 2.6 t90 -49.33 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 74.22 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . -65.11 -13.79 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 75.14 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 1.2 mtpp -77.82 -26.14 49.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 74.34 109.33 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 25.1 t -66.93 124.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 73.42 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -109.14 -26.22 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 64.32 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -126.49 150.4 48.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 74.11 110.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -137.51 114.36 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.31 109.298 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 14.9 tt0 -142.23 150.92 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 74.33 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.29 154.14 28.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.23 109.26 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 34' ' ' LEU . 2.7 m -134.24 162.59 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.13 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.3 tt0 -57.28 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 72.53 110.268 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER 76.35 57.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 71.44 109.297 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.36 -165.63 37.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 70.14 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -159.57 148.13 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 73.13 109.294 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.468 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.7 tm0? -131.02 111.32 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.43 110.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.16 168.83 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.33 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' CG ' ' OE1' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -124.37 95.39 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 72.52 109.329 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 3.3 t -86.77 129.86 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.11 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.44 78.68 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 74.15 110.306 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 13.2 mt -56.31 -38.83 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 74.42 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -142.31 158.54 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 73.11 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -60.41 -14.56 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 75.11 110.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.15 21.92 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 73.31 109.318 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 28.0 m -135.47 152.5 51.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 74.11 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -134.46 142.93 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.45 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 46' ' ' LEU . 1.1 tm? -123.02 104.71 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.15 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 1.2 tp10 -86.11 91.17 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 73.05 110.253 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 2.9 tm? -80.73 119.74 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 72.32 109.281 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.413 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 5.1 m170 -117.04 117.67 30.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 73.11 109.606 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 3.4 tt -97.11 126.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 73.03 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 18.1 p90 -145.36 154.77 42.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 72.23 110.958 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CG ' HD23 ' A' ' 4' ' ' LEU . 52.9 t80 -95.35 158.14 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.22 110.97 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -137.23 112.36 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.03 109.313 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.436 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 4.2 m-70 -71.63 -7.03 45.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.44 109.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 56' ' ' TYR . 54.0 t -58.79 -44.48 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 73.12 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.467 ' CD1' HG13 ' A' ' 55' ' ' VAL . 25.2 m-85 -121.63 -0.76 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 75.41 110.97 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 62.86 60.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 75.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 HG11 ' CB ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -163.71 164.41 15.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 72.31 109.326 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.93 161.26 39.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 71.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.592 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 3.5 p -141.42 170.87 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 71.54 110.003 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 137' ' ' TYR . 12.8 mt -131.41 146.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 75.12 109.31 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 12.6 ttpt -155.54 117.15 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 75.21 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.514 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 39.7 p90 -136.28 163.11 31.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 64.24 110.944 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.604 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.5 mtm180 -138.1 122.14 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.11 110.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 47.4 mt -61.41 138.11 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.35 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.9 m95 -131.04 155.51 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.97 -1.122 . . . . 74.1 107.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -127.64 97.83 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 52.44 109.993 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.76 124.48 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 75.04 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -121.72 112.84 18.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 73.42 109.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.55 30.01 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 70.33 110.43 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -42.54 -42.82 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 74.23 110.326 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.0 mt-10 -104.33 -14.65 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.31 110.31 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER 81.86 50.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.24 109.337 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.02 -0.3 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.4 109.319 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 t 69.17 45.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 75.3 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.99 175.74 9.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 72.2 110.004 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 2.8 pp -167.48 161.62 13.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 64.44 109.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' N ' HD11 ' A' ' 77' ' ' LEU . 48.6 ttm-85 -155.33 133.08 11.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.12 110.285 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 14.1 tp -52.3 138.59 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 75.41 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 64.2 mt -105.03 141.2 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 75.5 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -132.57 90.92 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 71.01 110.391 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -117.19 167.18 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.43 109.313 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -56.7 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 71.04 109.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.33 -38.88 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 65.34 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.27 -38.12 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 73.11 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.66 -38.29 80.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 74.42 110.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -68.79 -47.33 66.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.35 109.341 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 92' ' ' ASN . 1.5 tpt180 -49.27 -22.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 75.44 110.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.57 -34.81 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 64.41 110.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.77 -42.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.3 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mt -76.66 -178.41 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.22 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' HA ' ' CD ' ' A' ' 88' ' ' ARG . 54.4 m-80 -154.1 102.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.21 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -88.99 -58.75 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 74.23 109.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 56.03 -84.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 64.02 111.053 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.3 t -115.1 19.39 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 73.23 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -113.52 -172.03 2.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 75.1 110.982 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -148.29 169.85 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.45 109.977 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.83 170.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 72.04 109.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' TYR . 3.3 m -141.04 117.85 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.2 110.408 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 111' ' ' TYR . 36.4 tp -110.73 122.49 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.54 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 t -132.9 161.76 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.41 109.955 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.471 HG23 ' CG1' ' A' ' 109' ' ' VAL . 2.1 p -128.83 166.87 18.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 72.34 110.374 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 171.28 9.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 74.21 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.3 ttp -58.51 -32.24 68.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 65.31 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -77.07 -10.92 59.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 75.13 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.8 mtm 53.04 27.13 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 73.32 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.03 -29.2 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 74.3 109.269 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -106.79 139.42 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 74.34 110.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 102' ' ' THR . 14.3 t -142.43 143.36 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 73.31 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 1.1 m-85 -136.31 154.49 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 73.22 110.97 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CE2' HD11 ' A' ' 100' ' ' LEU . 12.9 m-85 -115.65 77.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 73.02 111.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 98.1 m-85 -67.57 110.28 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.41 111.018 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 141' ' ' PHE . 5.8 mt -74.42 138.65 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.12 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.15 112.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.32 109.291 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 60' ' ' SER . 3.9 p-10 -133.78 21.33 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 71.33 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.37 -46.3 49.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.31 108.311 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 121' ' ' ASN . 9.4 m-20 -96.03 54.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 73.41 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.9 m -58.46 -50.18 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 74.13 110.418 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -62.5 -28.71 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.33 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 117' ' ' ASP . . . -86.8 -15.38 39.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.23 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 117' ' ' ASP . 20.2 m-20 -83.57 -54.26 5.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.15 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.2 p -121.77 -54.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 63.22 109.341 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 37.72 35.4 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 52.3 110.939 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 t -68.42 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 72.45 110.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.92 143.34 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 74.05 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 2' ' ' LEU . 58.8 t -63.78 -13.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.51 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 12.2 mt-10 -65.45 -67.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.24 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 46.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.03 109.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -79.28 -38.27 35.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 75.03 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 2.3 mm? -71.77 -21.52 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 73.43 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 p -87.0 -45.18 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 51.44 110.414 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.5 tpt180 -73.7 -50.99 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.02 110.256 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.663 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 77.5 t90 -47.49 -57.39 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 73.31 107.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' A' ' 14' ' ' VAL . 7.6 tp -60.7 -53.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.22 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 134' ' ' ILE . 35.7 t -54.94 -15.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.42 110.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -90.93 -74.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 73.53 109.259 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.663 ' CE1' ' NE1' ' A' ' 133' ' ' TRP . 28.3 m-85 -47.87 -41.31 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 72.34 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.628 ' CD1' ' CZ3' ' A' ' 21' ' ' TRP . 8.7 tp -50.11 -37.11 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 73.42 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -59.09 -32.17 69.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 74.01 110.324 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 92' ' ' ASN . 59.7 mt -66.22 -10.05 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 64.32 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.423 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 5.7 m-85 -112.57 -38.72 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 75.35 111.023 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 9.8 t70 -147.76 107.68 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 72.31 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.0 mt -83.92 3.32 34.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.43 109.312 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.98 -9.84 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 74.51 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.81 104.65 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 73.32 110.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.67 103.61 53.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.43 109.267 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.433 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 74.2 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.454 ' HB2' ' CG1' ' A' ' 58' ' ' VAL . 11.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.04 -0.356 . . . . 74.21 110.04 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt -114.7 -18.44 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 73.23 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -50.57 113.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 75.12 109.338 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.518 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 27.4 p -71.87 -162.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 62.12 110.372 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.6 tm? -75.92 -45.07 3.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 74.03 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.0 -6.68 18.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 64.25 110.978 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' N ' ' A' ' 3' ' ' THR . 30.1 mt-10 -89.12 -38.71 14.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.25 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.51 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -78.53 -32.09 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.01 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.48 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -68.71 -20.57 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 73.14 109.318 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.53 -25.88 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 74.53 110.287 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -117.25 22.22 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 65.11 110.266 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -67.33 -45.89 49.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.53 109.249 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.02 0.17 9.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 64.11 110.996 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -89.1 -31.66 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.23 109.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.446 HG12 ' CD1' ' A' ' 134' ' ' ILE . 36.3 t -78.25 -52.06 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.34 109.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.1 ptt85 -63.31 -18.16 63.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 73.11 110.255 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 14.0 t -77.58 -41.13 39.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 74.22 110.004 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 147' ' ' PRO . 2.0 pp -83.45 -25.42 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.52 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 36' ' ' LEU . 12.8 mt -63.52 -24.45 67.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 74.31 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 16' ' ' SER . 79.8 p -53.75 -25.1 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 75.22 110.407 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.86 -33.36 75.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 73.34 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -54.19 125.06 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.1 108.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.21 -12.47 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 64.43 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 17.9 mtpt -80.0 -26.35 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 65.23 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.401 ' CG1' HG12 ' A' ' 27' ' ' ILE . 49.0 t -68.71 126.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.43 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' CD ' ' CG ' ' A' ' 39' ' ' ARG . 3.4 mt-10 -107.54 -34.87 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 74.32 110.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -124.88 133.58 53.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 74.3 110.352 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.401 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.0 mm -120.83 105.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 63.15 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.38 145.27 50.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 75.35 110.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.44 157.88 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.31 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.41 160.05 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 71.23 109.242 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 3.7 tt0 -57.54 90.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 73.35 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER 81.35 55.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 75.14 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.36 -169.92 39.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 75.2 110.981 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -157.56 139.75 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 72.23 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -121.81 113.01 19.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.3 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.32 147.92 43.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.53 109.292 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -108.75 95.12 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 74.23 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 23' ' ' LYS . 4.1 t -88.74 127.97 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 64.34 109.35 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' CG ' ' CD ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -90.03 79.79 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.54 110.256 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 46' ' ' LEU . 6.1 mp -58.39 -32.12 68.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.44 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.4 ttmt -149.62 154.73 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 73.44 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -59.61 -15.02 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.34 110.38 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.33 15.24 6.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.21 109.289 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 8.0 m -135.9 137.37 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.44 110.41 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -129.86 133.06 46.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.13 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.7 tm? -110.97 108.83 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 65.41 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.8 tt0 -87.29 96.3 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 64.23 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.635 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 2.4 tt -88.98 131.03 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 72.45 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.555 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -133.32 111.81 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.03 109.623 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.1 tt -85.77 130.17 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 72.21 109.3 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.4 p90 -144.42 128.94 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 71.24 110.96 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.552 ' CD2' HD23 ' A' ' 4' ' ' LEU . 84.1 t80 -71.57 150.65 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 74.31 111.029 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' CG2' ' A' ' 55' ' ' VAL . 42.0 t0 -127.86 126.64 41.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 53.25 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -81.65 3.66 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 75.52 109.622 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 ' CG2' ' OD1' ' A' ' 53' ' ' ASP . 77.3 t -67.23 -47.56 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.04 109.298 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 116' ' ' CYS . 42.2 m-85 -122.77 2.76 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.24 110.976 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 64.82 47.49 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 74.42 109.636 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.2 164.06 23.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 73.44 109.335 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.95 37.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 61.24 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 2.1 m -114.97 172.68 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 53.4 109.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' A' ' 137' ' ' TYR . 9.5 mt -137.75 127.31 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 72.33 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.07 118.83 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.45 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 28.9 p90 -129.77 162.74 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.51 110.955 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.474 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 7.4 mtp180 -139.88 121.89 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 74.41 110.312 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.2 138.85 54.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 74.24 109.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.476 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 94.4 m95 -127.62 162.87 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.04 108.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -133.63 97.74 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 62.21 109.957 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 HD11 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.6 125.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 74.04 109.265 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -122.63 113.09 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 73.34 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.32 29.55 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.45 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -42.82 -43.18 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.43 110.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.2 mt-10 -103.43 -14.84 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 75.1 110.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.48 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 73.33 109.279 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.67 2.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 74.13 109.284 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t 67.46 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 75.4 109.971 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.68 175.28 10.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.43 109.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.2 pp -166.88 164.28 16.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.118 . . . . 75.52 109.294 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 1.6 tpm_? -155.36 140.59 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 75.32 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 64' ' ' ARG . 14.4 tp -58.21 138.55 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 62.24 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 61.4 mt -104.88 154.77 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 74.34 109.269 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -149.33 119.92 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 72.45 110.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -143.86 165.04 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 74.52 109.314 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -57.24 -171.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 63.11 109.955 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -47.39 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 65.41 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -66.28 -34.28 77.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 73.45 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.97 -35.14 74.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.13 110.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 91' ' ' LEU . 1.3 tt -73.64 -51.91 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.03 109.245 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -24.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 73.22 110.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -45.28 -25.85 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.31 110.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.1 -42.79 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 73.44 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.525 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 28.9 mt -75.23 178.88 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.21 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -140.58 95.66 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.43 109.32 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.632 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.61 -58.07 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 75.33 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.88 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 71.22 111.035 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LEU . 3.5 t -113.25 -21.04 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 73.41 110.363 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.11 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 74.04 111.007 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.16 168.99 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.25 110.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.5 p -153.41 171.42 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 75.13 109.328 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -146.38 110.3 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 64.54 110.375 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 111' ' ' TYR . 19.1 tp -98.67 122.75 42.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 71.14 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -115.5 132.58 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 72.11 109.991 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 109' ' ' VAL . 2.7 m -116.29 152.69 33.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 72.44 110.456 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.8 166.16 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 75.25 109.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.61 -13.51 22.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 62.24 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -92.9 -15.86 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 73.23 110.342 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.7 mtt 56.99 22.35 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 65.4 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -38.96 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.23 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.2 p -106.34 127.7 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.45 109.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 100' ' ' LEU . 2.3 t -144.12 141.58 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 74.55 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -132.66 151.55 51.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 72.42 110.991 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 51.6 m-85 -108.4 79.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.4 110.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 96.1 m-85 -68.96 114.78 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 73.01 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.0 mt -77.69 140.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 73.31 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.469 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -60.36 114.17 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 75.34 109.249 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 4.5 p-10 -145.82 28.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 75.12 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 16.8 p -76.18 -46.48 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 75.32 108.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' ALA . 4.9 m-20 -96.99 42.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.22 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.6 m -45.5 -25.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.12 110.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.42 ' HB3' ' N ' ' A' ' 0' ' ' SER . 5.0 p-10 -68.93 -43.54 74.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 73.44 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' ASP . . . -81.68 -10.82 59.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.03 109.334 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.584 ' N ' HD21 ' A' ' 121' ' ' ASN . 0.9 OUTLIER -74.5 -69.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 64.44 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 129' ' ' TYR . 4.8 p -103.65 -50.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 73.12 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.473 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 36.97 48.43 1.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 70.32 111.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.4 ' CB ' ' HG2' ' A' ' 132' ' ' ARG . 7.6 p -91.86 -75.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 73.42 109.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -151.78 124.88 8.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 74.54 109.283 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -53.69 -28.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 72.53 109.296 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -68.41 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 74.41 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -95.22 46.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.23 109.626 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.0 t80 -84.33 -33.66 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 73.12 110.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 7' ' ' TYR . 4.3 mm? -67.06 -28.22 68.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 73.43 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p -86.55 -34.92 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 72.12 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' CB ' ' A' ' 124' ' ' SER . 9.9 tpt180 -85.35 -16.45 39.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 75.22 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.495 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 78.6 t90 -87.18 -47.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.013 -1.106 . . . . 72.44 108.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 137' ' ' TYR . 5.8 tp -56.54 -47.9 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.32 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.435 ' OG ' ' CG ' ' A' ' 147' ' ' PRO . 3.5 t -73.12 -0.34 13.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.35 109.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.459 ' CD1' ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.99 -41.32 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 74.44 109.276 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.662 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -94.0 -47.39 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 73.21 111.025 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.614 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 6.9 tp -44.5 -26.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.3 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 137' ' ' TYR . 47.0 mtp180 -64.28 -43.54 94.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 75.2 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 137' ' ' TYR . 73.9 mt -57.47 -15.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.31 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.635 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 5.2 m-85 -106.32 -34.84 7.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 74.41 110.963 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -148.48 108.69 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 73.24 109.325 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.6 mt -87.9 3.64 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 73.42 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -108.5 -16.17 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 73.2 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -79.13 110.31 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.25 110.982 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.54 116.31 57.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 73.04 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 73.01 111.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.992 -0.373 . . . . 64.34 109.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 46.71 23.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 63.31 110.995 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 17.0 tp -68.7 114.69 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 75.04 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 66.0 p -79.79 -172.83 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.23 110.42 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.7 OUTLIER -76.46 -45.43 3.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 73.24 109.299 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.07 -8.43 19.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 75.34 110.947 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 11.2 mm-40 -88.28 -39.35 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 75.44 110.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.57 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -86.15 -35.02 20.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 70.15 110.956 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 17.4 t-20 -64.39 -17.82 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 75.31 109.319 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -74.16 -27.17 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 72.15 110.334 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.1 mt-30 -109.39 12.45 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 74.44 110.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER -60.56 -46.62 97.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 72.22 109.358 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.512 1.796 . . . . 74.55 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.7 m-20 -93.23 -34.29 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.12 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 90.7 t -75.71 -39.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 74.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' CD ' HD23 ' A' ' 34' ' ' LEU . 40.9 ptt85 -73.82 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.33 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 19' ' ' THR . 30.0 t -73.14 -46.39 51.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.51 110.015 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 18' ' ' LEU . 4.6 pp -74.24 -26.76 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 74.43 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 1.7 mm? -58.67 -31.15 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 75.33 109.347 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 16' ' ' SER . 27.2 p -61.62 -13.42 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 63.33 110.381 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -82.82 -23.58 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 74.54 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.557 ' CE3' HG21 ' A' ' 24' ' ' VAL . 1.9 t90 -61.18 128.31 35.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.33 108.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -15.67 37.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 70.23 109.305 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' NZ ' HD21 ' A' ' 40' ' ' LEU . 1.4 mtpm? -85.2 -26.2 26.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.12 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CE3' ' A' ' 21' ' ' TRP . 35.5 t -69.11 113.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.23 109.328 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.24 -40.43 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.23 110.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 27' ' ' ILE . 22.3 ttt85 -124.96 156.57 37.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 73.32 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.2 mm -141.17 109.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 74.52 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ASP . 12.4 tt0 -127.69 161.48 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 75.53 110.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 4.5 p30 -118.2 161.96 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 73.34 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 2.5 m -139.46 179.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.1 109.267 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 6.7 tt0 -76.38 93.69 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.43 110.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 2.0 t70 80.6 45.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 72.12 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 50' ' ' ILE . . . 170.26 -171.83 43.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 70.54 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -149.87 149.99 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 74.32 109.313 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tm0? -126.4 116.37 21.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 74.41 110.256 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -121.29 146.67 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 72.11 109.286 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.89 95.22 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.12 109.314 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' CG1' ' CD2' ' A' ' 40' ' ' LEU . 96.0 t -82.78 106.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.42 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.51 110.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.558 ' CD2' ' CG1' ' A' ' 38' ' ' VAL . 1.2 mm? -57.69 -28.45 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 73.31 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 44' ' ' THR . 4.7 ttmm -153.09 163.75 39.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.42 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -63.05 -12.12 24.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 72.33 110.378 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.7 10.54 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 74.51 109.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 41' ' ' LYS . 36.2 m -123.48 126.67 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 73.21 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 1.5 tm? -112.83 134.47 54.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 72.34 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD22 ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -125.75 106.09 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 73.4 109.306 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 21.6 mt-10 -81.89 112.43 19.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 74.54 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 1.9 tm? -96.58 122.23 39.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 75.21 109.256 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 11.2 m170 -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 73.42 109.611 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -122.98 122.24 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 63.44 109.252 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -142.12 174.01 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.43 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -104.84 146.64 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 75.23 111.034 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -115.38 111.77 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.41 109.284 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -81.02 3.54 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 73.11 109.618 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 56' ' ' TYR . 13.1 m -81.88 -37.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 74.42 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.424 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 36.4 m-85 -122.61 -1.91 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.51 111.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 63.12 50.69 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 72.42 109.537 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -153.46 163.58 23.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 73.35 109.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.98 160.48 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 65.33 111.06 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.575 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 33.5 t -136.82 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.24 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.534 HD12 ' CZ2' ' A' ' 133' ' ' TRP . 10.9 mt -137.61 131.23 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 72.31 109.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -144.01 134.53 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.31 109.322 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 17.3 p90 -148.57 159.98 43.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 71.45 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.573 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -131.87 113.17 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.42 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.7 mt -53.42 141.1 25.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.41 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.593 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 96.3 m95 -124.12 160.82 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.33 108.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.86 97.7 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 72.12 109.961 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.47 125.44 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.23 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -122.51 112.62 18.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.22 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.49 34.57 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 64.33 110.384 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.79 -44.83 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 75.31 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -103.56 -12.15 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 72.03 110.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.6 t70 81.28 51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.2 109.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 1.32 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 74.31 109.335 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 t 66.7 47.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 75.41 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -87.18 175.45 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 72.44 109.992 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -167.57 166.08 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.11 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -155.38 139.61 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 73.03 110.365 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.593 HD13 ' CZ2' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -64.67 131.14 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.2 109.344 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 38.0 mt -98.99 156.04 17.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.45 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.514 ' CG2' ' CG2' ' A' ' 109' ' ' VAL . 1.6 p -141.8 98.32 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 73.14 110.435 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -129.53 167.71 17.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.43 109.308 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -72.68 -168.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 75.02 110.008 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' LEU . 8.5 m-20 -72.29 -54.83 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.3 109.297 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 m -38.76 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 74.25 110.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 89' ' ' SER . 1.3 mt-10 -89.38 -44.19 10.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 65.11 110.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 93' ' ' LEU . 7.7 tt -58.38 -56.25 24.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 71.03 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -55.17 -17.8 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 70.43 110.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.3 t -57.51 -28.03 63.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 64.3 109.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 89' ' ' SER . 0.0 OUTLIER -120.2 -40.14 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.32 109.334 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 5.4 mt -83.71 160.75 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.23 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -117.54 99.12 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 72.2 109.363 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -88.6 -57.76 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 74.52 109.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.73 -93.72 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 64.41 110.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 t -103.27 -14.96 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 71.42 110.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -75.21 172.23 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 74.34 111.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -138.21 162.23 34.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 70.13 110.014 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 99' ' ' THR . 3.1 t -138.88 161.2 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 74.22 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 8.8 m -131.83 102.93 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 74.01 110.389 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.527 HD13 ' CE1' ' A' ' 111' ' ' TYR . 36.9 tp -88.18 122.91 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 73.1 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 t -118.65 130.96 56.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 74.01 110.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 m -108.41 150.54 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.35 110.412 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -85.44 171.91 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 71.1 109.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.6 ptm -66.07 -10.1 37.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 74.13 110.981 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -100.68 -19.11 16.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.21 110.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.6 ttm 63.22 16.92 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 73.33 111.007 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -15.65 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 73.13 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 m -129.2 126.38 39.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 65.11 110.025 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.514 ' CG2' ' CG2' ' A' ' 81' ' ' THR . 2.0 t -141.29 132.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.44 109.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 0.2 OUTLIER -118.05 154.33 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 73.12 110.997 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.527 ' CE1' HD13 ' A' ' 100' ' ' LEU . 65.2 m-85 -112.81 82.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.01 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 90.3 m-85 -73.83 109.38 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 72.43 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.548 HG22 ' CE1' ' A' ' 137' ' ' TYR . 5.9 mt -60.2 142.37 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.1 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.47 107.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 75.42 109.322 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 9.3 t30 -136.55 92.7 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 75.12 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.06 -55.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 62.14 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 3.1 m-20 -108.43 75.13 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 74.11 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' VAL . 2.3 m -83.14 -58.55 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 63.4 110.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -50.53 -26.38 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 75.41 109.326 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.71 -28.45 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 72.1 109.309 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 1.0 OUTLIER -86.76 -70.13 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.34 109.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 136' ' ' LEU . 57.8 t -62.83 -65.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 73.21 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.09 -23.27 15.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 55.23 110.97 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.52 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 50.1 m -38.02 140.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 53.42 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.5 174.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 73.2 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 23.9 t -84.69 -8.19 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 71.41 109.316 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.52 -67.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.41 110.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -112.79 47.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 75.4 109.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.52 ' CD1' ' O ' ' A' ' 124' ' ' SER . 4.6 t80 -75.92 -43.21 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 72.51 110.961 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.48 HD12 ' CD2' ' A' ' 7' ' ' TYR . 2.5 mm? -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 64.33 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.1 p -89.47 -51.16 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 71.41 110.43 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -16.96 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 74.51 110.297 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.57 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 65.4 t90 -83.61 -61.8 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.977 -1.119 . . . . 63.51 107.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 138' ' ' ILE . 2.5 tp -56.42 -55.31 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 74.35 109.361 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.454 ' OG ' ' CG ' ' A' ' 147' ' ' PRO . 30.2 t -55.3 -17.33 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 73.24 109.96 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 122' ' ' VAL . 2.6 tt -91.97 -34.37 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.22 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.57 ' CE2' ' NE1' ' A' ' 133' ' ' TRP . 11.4 m-85 -94.32 -2.4 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 75.31 111.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 134' ' ' ILE . 5.0 tp -84.4 -20.57 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 75.53 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -68.64 -7.39 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.42 110.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.1 mt -88.98 -10.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 74.45 109.316 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 69.9 m-85 -119.58 -32.52 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.41 111.029 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 12.6 t0 -147.11 121.73 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 73.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.6 mt -98.16 3.1 49.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 74.3 109.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.84 -11.99 12.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 60.44 109.319 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.491 ' CE2' HG12 ' A' ' 138' ' ' ILE . 28.9 t80 -72.34 113.0 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 72.43 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.52 109.66 61.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 73.41 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.454 ' CG ' ' OG ' ' A' ' 135' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.462 1.769 . . . . 74.41 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.453 ' OG ' ' CB ' ' A' ' 119' ' ' ASP . 4.9 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.022 -0.362 . . . . 75.31 110.022 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmm -119.24 -9.29 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 75.24 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 10.2 tp -49.98 101.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.5 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 62.9 p -75.02 -165.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 74.11 110.407 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.627 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.3 tm? -76.85 -45.47 3.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 75.4 109.277 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.99 -10.26 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 71.22 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 13.6 mm-40 -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 72.32 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HB2' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -87.28 -20.26 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 74.03 110.976 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 3.6 m-20 -78.02 -15.07 59.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 72.03 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.51 -32.01 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 72.43 110.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -100.93 11.45 39.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 75.21 110.339 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -58.48 -45.58 99.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.35 109.301 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.93 0.26 9.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 72.03 111.035 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.76 -35.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.31 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 25.2 t -75.57 -48.0 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 74.12 109.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 3.8 ptm180 -65.9 -18.91 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 73.02 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' OG1' ' A' ' 19' ' ' THR . 27.4 t -74.93 -46.6 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.13 110.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -77.84 -24.69 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.12 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -59.28 -18.21 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 73.13 109.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 16' ' ' SER . 70.4 p -67.25 -9.82 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 71.24 110.366 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -81.9 -14.6 55.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 74.34 109.247 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.609 ' CZ3' ' CG2' ' A' ' 38' ' ' VAL . 1.6 t90 -75.03 128.56 35.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.22 107.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.16 -15.02 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 73.1 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.62 -13.42 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 75.41 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.535 HG21 ' CE3' ' A' ' 21' ' ' TRP . 24.2 t -73.97 128.04 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 74.51 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -110.69 -28.08 8.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 71.42 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -131.64 141.28 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 70.51 110.276 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -130.2 104.8 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 63.43 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.96 139.32 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 73.1 110.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -99.54 163.84 12.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 72.13 109.267 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.454 HG21 ' CA ' ' A' ' 34' ' ' LEU . 34.3 m -140.76 165.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.14 109.336 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -90.73 31.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 75.14 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -164.76 30.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.12 109.298 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.92 -120.31 2.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 75.11 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -163.21 150.43 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 72.03 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.3 tm0? -131.78 109.68 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 70.43 110.29 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.21 170.32 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 75.12 109.298 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 70.2 m-20 -129.08 94.89 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.32 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.609 ' CG2' ' CZ3' ' A' ' 21' ' ' TRP . 9.0 t -85.67 148.53 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.23 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.15 79.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 75.34 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 90' ' ' ILE . 22.4 mt -53.15 -42.39 66.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.34 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 5.2 ttmm -136.46 156.69 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 75.21 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.53 -16.96 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 71.3 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.03 17.92 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 73.11 109.302 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.446 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 27.4 m -132.3 148.1 52.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 73.43 110.405 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -128.78 136.29 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 73.13 109.281 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -116.22 97.65 6.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.44 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.541 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.2 tt0 -78.19 101.5 7.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.34 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.624 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -94.93 130.79 41.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.21 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.97 113.81 13.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 74.24 109.673 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 8.8 tt -87.33 135.02 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 75.44 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.0 p90 -153.4 133.08 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.51 110.97 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -83.04 154.13 24.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 75.53 110.982 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 48.4 t0 -116.15 137.62 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 72.53 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -88.29 3.89 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.12 109.577 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG13 ' CD2' ' A' ' 56' ' ' TYR . 19.1 t -86.47 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 73.34 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 55' ' ' VAL . 75.7 m-85 -91.01 -11.83 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 74.41 110.967 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 39.0 m-70 65.53 43.39 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.03 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -147.76 167.42 13.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 72.34 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.41 41.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.791 . . . . 75.02 111.009 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -126.12 173.52 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 70.01 110.01 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.558 ' CD1' ' CG ' ' A' ' 137' ' ' TYR . 12.2 mt -138.01 127.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.23 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 122.53 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.33 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CD1' HD21 ' A' ' 46' ' ' LEU . 54.9 p90 -138.34 152.9 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 73.22 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.597 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.0 mtm180 -121.54 121.25 37.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 73.35 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 34.5 mt -65.47 143.8 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 71.44 109.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 91.5 m95 -137.8 155.91 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.02 107.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.456 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -127.2 97.57 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 74.23 109.976 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.2 123.19 20.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.21 109.332 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -119.88 110.48 16.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 75.22 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.77 33.4 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 74.43 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -44.32 -43.38 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 72.13 110.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -104.17 -12.99 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.41 110.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER 81.71 52.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 75.54 109.274 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.65 -5.01 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 73.11 109.28 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t 73.82 41.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.44 110.012 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -78.92 175.08 10.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 74.12 110.037 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.5 pp -168.34 162.6 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.53 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -155.47 130.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 72.24 110.322 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' A' ' 66' ' ' TRP . 17.2 tp -49.53 134.04 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 74.44 109.286 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 36.7 mt -100.02 162.32 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 75.43 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -159.45 112.76 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 73.42 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -143.05 166.99 23.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 74.04 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -55.88 -173.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 72.11 109.99 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -80.58 -38.47 29.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 65.55 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -70.45 -32.81 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.31 109.997 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.35 -32.16 62.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 73.14 110.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 65' ' ' LEU . 8.1 tp -82.55 -33.55 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 73.1 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -54.53 -19.92 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 73.44 110.274 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -55.1 -23.91 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 74.54 110.037 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -116.12 -37.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 72.3 109.292 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.422 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 27.5 mt -84.66 177.86 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 75.44 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.0 m-80 -145.39 97.61 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.31 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.626 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.7 -58.32 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 75.43 109.312 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.62 -82.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 73.2 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LEU . 1.2 t -110.44 -23.23 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 73.35 110.427 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.63 -169.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.33 111.021 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -149.48 167.11 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 73.51 109.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 p -151.44 156.74 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 74.13 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -134.79 123.04 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.13 110.401 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.516 ' CD1' ' CE2' ' A' ' 111' ' ' TYR . 4.8 tt -92.22 135.79 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 74.34 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.477 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 26.6 t -128.53 143.61 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 71.13 110.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.451 ' CG2' HG22 ' A' ' 109' ' ' VAL . 25.1 m -130.37 147.24 52.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.23 110.415 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -80.53 149.53 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.43 109.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.1 ttp -61.71 -18.99 61.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 73.4 111.005 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -83.64 -10.96 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 54.31 110.308 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 mtt 51.22 27.47 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 61.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -35.85 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 71.44 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 p -132.56 156.72 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 72.14 109.958 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG22 ' CG2' ' A' ' 102' ' ' THR . 9.9 t -149.16 159.45 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 74.44 109.28 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -152.62 168.62 25.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 75.2 110.997 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.516 ' CE2' ' CD1' ' A' ' 100' ' ' LEU . 74.1 m-85 -122.6 111.96 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.1 111.034 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -90.85 110.83 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 74.42 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.432 HD12 ' CZ ' ' A' ' 141' ' ' PHE . 3.6 mt -74.38 142.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.03 109.291 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -59.79 113.12 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 62.32 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -134.56 27.86 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 71.52 109.344 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.55 -37.89 13.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.33 108.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.27 38.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 73.21 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' VAL . 3.6 m -82.99 -56.86 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 52.04 110.412 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.453 ' CB ' ' OG ' ' A' ' 0' ' ' SER . 2.9 p30 -50.8 -26.2 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.41 109.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.73 -28.4 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 71.12 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 118' ' ' THR . 36.1 m-20 -86.47 -69.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.15 109.284 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 129' ' ' TYR . 1.3 p -63.75 -49.59 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 70.51 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 126.65 -163.9 20.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 73.3 111.044 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' VAL . 64.0 p -109.34 -23.07 11.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 65.22 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 73.1 109.258 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 124' ' ' SER . 1.7 p -77.02 -7.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.14 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -50.6 -67.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 71.43 110.27 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.3 m-70 -125.95 46.73 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.52 109.596 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 4.0 t80 -70.09 -37.15 75.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 74.33 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 10' ' ' GLN . 3.7 mm? -66.7 -27.9 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 73.12 109.258 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.4 -32.02 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 71.43 110.377 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 128' ' ' HIS . 28.6 mtt180 -86.43 -16.27 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 75.04 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 83.5 t90 -88.38 -46.29 9.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.989 -1.115 . . . . 71.53 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 137' ' ' TYR . 7.5 tp -56.17 -50.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 75.44 109.334 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.6 t -71.46 -1.35 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 75.44 110.001 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.57 -42.91 7.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 70.51 109.339 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -91.55 -47.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.11 110.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.593 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 7.3 tp -44.51 -31.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 72.43 109.295 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.61 -42.1 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 73.24 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 65.6 mt -58.9 -14.29 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 73.3 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 7.2 m-85 -108.85 -32.68 7.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 73.52 111.001 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.514 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -148.76 107.17 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.21 109.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -86.95 2.71 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 64.14 109.299 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -112.36 -16.27 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 74.01 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -72.64 112.4 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.32 111.016 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 116.58 56.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.03 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.459 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 73.04 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.46 ' CB ' ' HB2' ' A' ' 119' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.037 -0.356 . . . . 74.11 110.037 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmm -132.01 5.95 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.34 111.032 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 11.4 tp -51.83 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 74.34 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.487 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 81.1 p -74.83 -170.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 73.05 110.392 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -75.34 -46.05 4.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 72.4 109.285 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.01 -7.5 19.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 74.11 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -88.59 -38.57 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -87.5 -36.49 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 72.23 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.584 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.1 t-20 -65.93 -17.37 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 74.25 109.271 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -74.4 -24.11 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.41 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.446 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.9 mt-30 -115.27 16.39 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 65.12 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -62.33 -46.56 90.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 72.25 109.332 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 75.34 110.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.83 -34.04 15.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 71.34 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.53 ' CG1' ' CD1' ' A' ' 134' ' ' ILE . 69.3 t -74.88 -46.73 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 75.03 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 20.6 ptt180 -67.48 -19.15 65.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 65.54 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' THR . 14.4 t -68.24 -62.32 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 74.02 110.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.0 pp -61.15 -24.22 66.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.42 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -55.34 -24.24 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.15 109.282 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 16' ' ' SER . 63.3 p -55.97 -17.44 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 74.5 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 26.5 mmmt -78.24 -37.89 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 75.21 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 138' ' ' ILE . 1.2 t90 -52.59 112.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 74.34 107.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.35 48.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 65.14 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -77.47 -24.65 50.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.33 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' A' ' 21' ' ' TRP . 22.5 t -68.88 111.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 72.44 109.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -98.13 -21.77 16.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 50.34 110.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.42 145.16 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.25 110.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -132.84 112.51 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.14 109.317 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 29' ' ' ASP . 7.9 tt0 -146.97 156.57 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 71.12 110.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 30' ' ' VAL . 7.5 t70 -119.1 166.76 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 73.33 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' N ' ' OD2' ' A' ' 29' ' ' ASP . 2.4 m -139.36 179.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 72.24 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 4.6 tt0 -73.42 92.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 75.23 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 78.27 47.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 65.02 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.97 -166.52 39.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 63.04 111.02 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -156.54 142.95 18.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 72.45 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -127.79 111.15 13.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 75.12 110.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -119.36 170.62 8.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 75.21 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.446 ' OD2' ' CD2' ' A' ' 45' ' ' LEU . 11.3 t70 -117.18 98.43 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 65.52 109.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 41.9 t -89.03 114.48 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 73.23 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -89.5 95.4 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 75.22 110.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 46' ' ' LEU . 8.8 mp -75.0 -47.77 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.03 109.293 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 6.4 ttmt -137.97 154.62 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 74.44 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 -14.38 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.44 110.395 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -125.56 18.32 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 73.42 109.307 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -146.14 132.86 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 65.04 110.389 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -126.44 131.63 51.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.42 109.288 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 63' ' ' PHE . 1.6 tm? -116.95 112.78 21.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 73.2 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' OE2' ' CD1' ' A' ' 66' ' ' TRP . 1.4 mp0 -85.53 137.96 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.14 110.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 2.0 tm? -116.6 116.64 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 71.44 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 7.3 m170 -121.02 102.06 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 75.34 109.627 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 10.6 tt -85.66 134.07 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 74.21 109.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.7 p90 -150.2 135.38 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 75.12 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.6 t80 -80.96 154.8 26.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.22 110.971 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.539 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 62.3 t0 -130.64 131.95 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.33 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.42 3.69 38.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 64.43 109.639 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.53 HG11 ' CD2' ' A' ' 56' ' ' TYR . 54.4 t -68.19 -47.39 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 75.43 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.53 ' CD2' HG11 ' A' ' 55' ' ' VAL . 46.3 m-85 -122.33 3.87 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.53 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 60.93 51.85 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 71.23 109.581 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.44 164.84 19.33 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 74.2 109.261 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.28 39.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 73.43 111.034 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.8 t -120.19 172.24 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 62.25 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.51 HD13 ' CG ' ' A' ' 137' ' ' TYR . 10.3 mt -137.74 141.14 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 74.02 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 7.3 ttpt -154.41 118.52 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.4 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CD1' HD23 ' A' ' 46' ' ' LEU . 22.4 p90 -128.97 170.29 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 75.13 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.585 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 8.6 mtp180 -140.69 141.41 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 73.3 110.269 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 73.0 mt -86.52 137.77 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.21 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.585 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 90.1 m95 -129.43 172.85 11.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.23 108.017 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -142.67 97.34 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 71.33 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.9 123.24 20.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.34 109.313 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -119.01 113.47 21.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 53.42 109.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.58 34.81 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.31 110.396 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -51.83 -44.41 63.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.55 110.301 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.9 mt-10 -102.62 -2.91 27.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 75.31 110.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.62 48.29 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 61.34 109.271 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.78 -8.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 72.34 109.245 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.4 t 83.23 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.44 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.05 177.55 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.04 109.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -170.54 163.49 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 71.01 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' SER . 54.7 ttt85 -155.31 142.38 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 75.2 110.251 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 28.8 tp -66.7 136.82 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.32 109.323 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 67' ' ' SER . 90.3 mt -109.16 162.19 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 72.12 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -144.85 95.45 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 75.14 110.361 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 65' ' ' LEU . 0.5 OUTLIER -127.92 167.35 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.53 109.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 m -74.54 -168.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.11 110.037 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' GLU . 56.5 m-20 -71.43 -54.16 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 71.01 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -38.33 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.4 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' SER . 1.7 mt-10 -88.33 -47.36 8.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 73.32 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 91' ' ' LEU . 53.5 tp -54.67 -57.98 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 65.42 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.97 -30.38 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.12 110.3 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.6 t -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.11 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -123.38 -42.86 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 74.11 109.317 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 87' ' ' LEU . 14.7 mt -75.77 166.18 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 73.02 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.453 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 68.2 m-80 -121.7 97.17 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 64.11 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.621 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.51 -58.19 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 75.41 109.284 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.12 -85.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 72.31 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -114.0 -18.47 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 75.22 110.404 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.27 173.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.43 111.005 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.411 ' HB3' ' ND2' ' A' ' 114' ' ' ASN . 19.4 m -130.1 166.38 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 62.54 110.009 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 99' ' ' THR . 3.2 t -153.68 163.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.13 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.492 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -150.77 112.13 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 75.43 110.395 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 111' ' ' TYR . 50.7 tp -80.1 129.36 34.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 73.43 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -129.52 157.8 41.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 75.12 109.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 103' ' ' ASP . 52.5 m -138.01 149.24 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 61.34 110.397 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.401 ' N ' HG22 ' A' ' 102' ' ' THR . 1.7 t70 -76.73 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.03 109.319 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 ptp -61.32 -29.79 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.14 111.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -69.54 -16.38 63.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.01 110.342 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.9 mtt 49.7 24.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 72.41 110.999 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.09 -17.38 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 74.53 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t -131.49 156.07 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 71.22 109.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 100' ' ' LEU . 2.2 t -142.56 136.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 74.03 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -138.05 146.82 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.44 110.999 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CD1' HD13 ' A' ' 100' ' ' LEU . 99.1 m-85 -103.7 126.24 50.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.42 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 35.7 m-85 -103.61 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.12 111.038 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -70.15 134.35 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.34 109.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 97' ' ' SER . 2.7 m-80 -54.29 111.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 75.13 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 8.8 p-10 -139.56 47.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 75.32 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.2 p -92.62 -46.41 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 74.53 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.45 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 0.2 OUTLIER -105.07 78.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 71.34 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.479 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 4.5 m -80.96 -56.7 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.1 110.409 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.46 ' HB2' ' CB ' ' A' ' 0' ' ' SER . 8.0 t0 -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 74.53 109.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.75 -14.35 39.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.52 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 9.4 m-20 -94.4 -69.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 63.31 109.306 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 123' ' ' GLY . 8.9 p -81.62 -54.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.53 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.462 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 83.43 -16.97 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 73.42 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.6 p -38.73 142.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 71.53 110.05 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.83 -179.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.43 109.332 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.3 t -84.69 -8.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 63.21 109.28 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.3 -67.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 75.11 110.296 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -115.89 47.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.54 109.573 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 124' ' ' SER . 2.9 t80 -73.21 -42.74 62.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 75.24 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 4.5 mm? -68.79 -22.81 64.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 74.23 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -90.12 -33.09 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 73.03 110.393 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -89.09 -16.75 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 74.2 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.563 ' CD1' HD22 ' A' ' 136' ' ' LEU . 76.5 t90 -86.18 -37.64 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 74.34 108.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 137' ' ' TYR . 7.3 tp -61.4 -47.62 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 71.31 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 138' ' ' ILE . 2.8 t -72.61 0.1 11.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 75.02 110.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -94.98 -43.61 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 75.52 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.687 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -94.42 -45.65 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 73.1 111.044 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.599 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 5.9 tp -46.75 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 72.51 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 137' ' ' TYR . 19.0 mtp180 -64.28 -40.93 96.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 72.33 110.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 137' ' ' TYR . 32.4 mt -62.59 -11.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.24 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.541 ' CD2' HD12 ' A' ' 46' ' ' LEU . 5.8 m-85 -107.54 -38.38 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 71.11 110.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -148.85 122.15 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.24 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.453 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -97.71 3.92 50.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.44 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.06 -13.6 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 73.23 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -94.37 105.19 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.34 110.999 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.21 98.61 40.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 71.02 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.467 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.534 1.807 . . . . 72.22 110.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.023 -0.362 . . . . 74.14 110.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm -131.71 5.37 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.04 110.962 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 126' ' ' VAL . 11.9 tp -50.47 105.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 62.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.48 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 58.4 p -76.22 -170.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.01 110.374 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -75.89 -46.01 3.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 71.24 109.277 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.02 -7.96 19.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 71.44 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 5.5 mm-40 -88.59 -44.3 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 72.13 110.263 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.599 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -80.06 -38.37 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.44 110.981 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.5 t-20 -63.0 -15.76 57.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 64.33 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.28 -28.23 47.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 72.41 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.416 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -106.89 12.5 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.21 110.29 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -57.45 -46.51 99.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.12 109.296 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 74.45 110.964 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 2.9 m-20 -93.45 -35.39 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 74.13 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 54.0 t -69.95 -44.84 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 65.13 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 19' ' ' THR . 19.4 ptt180 -71.12 -25.9 62.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.31 110.273 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 19' ' ' THR . 9.2 t -64.88 -39.78 94.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 65.45 109.966 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.7 pp -88.59 -33.65 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.31 109.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 36' ' ' LEU . 1.5 tp -62.09 -34.59 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 64.41 109.324 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 1.6 p -58.73 -15.48 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 74.4 110.393 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.04 109.308 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.568 ' CH2' ' CG1' ' A' ' 38' ' ' VAL . 1.5 t90 -48.87 131.36 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 71.22 107.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.3 -1.54 53.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 75.12 109.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.67 -26.25 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.03 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.565 HG23 ' CE3' ' A' ' 21' ' ' TRP . 12.7 t -59.2 131.84 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 74.22 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -111.05 -28.79 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 73.21 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 148.03 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.23 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mm -139.78 113.21 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.1 109.327 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -141.43 156.08 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.05 110.333 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.23 161.93 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 75.15 109.282 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 1.6 m -135.6 176.42 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.45 109.318 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.8 tt0 -72.39 93.27 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.41 110.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER 79.88 45.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 71.22 109.286 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.418 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 173.51 -168.81 41.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 71.32 111.004 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -153.9 149.29 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 71.43 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.447 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -130.04 112.83 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 72.4 110.264 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -118.72 146.88 44.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 75.11 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -104.35 95.04 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 64.51 109.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.568 ' CG1' ' CH2' ' A' ' 21' ' ' TRP . 11.1 t -82.52 148.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.51 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 44' ' ' THR . 1.9 mmt-85 -113.25 87.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 71.33 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 27.1 mt -63.39 -39.38 94.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 74.42 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -142.39 159.08 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.13 109.307 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -61.08 -13.97 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 72.25 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.07 13.49 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.43 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.4 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 90.7 m -128.21 153.64 46.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 74.32 110.415 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 1.4 tm? -137.67 132.36 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.32 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.4 tm? -119.16 104.68 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 65.33 109.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 2.5 mt-10 -83.83 116.09 22.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.51 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 141' ' ' PHE . 5.0 tt -106.94 135.04 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 74.32 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 1.9 m170 -130.16 155.24 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 74.34 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -129.75 130.47 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 74.34 109.351 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 p90 -144.79 131.87 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.25 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.433 ' CG ' HD23 ' A' ' 4' ' ' LEU . 44.9 t80 -70.21 146.07 50.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.4 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' OD2' ' CG2' ' A' ' 55' ' ' VAL . 39.4 t0 -126.69 110.54 13.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 72.43 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.438 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 4.0 m-70 -71.27 -6.66 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.45 109.564 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.489 ' CG2' ' OD2' ' A' ' 53' ' ' ASP . 64.2 t -59.58 -42.57 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 65.1 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -122.59 3.98 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.43 111.027 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 64.04 33.55 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 55.54 109.583 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.57 162.02 53.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.04 109.287 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.99 163.53 35.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 73.21 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -129.26 172.93 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 74.2 109.986 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.677 ' CD1' ' CD2' ' A' ' 137' ' ' TYR . 38.8 mt -140.24 127.45 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 73.32 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.92 128.11 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 75.44 109.287 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.596 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 40.6 p90 -141.29 164.08 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 75.31 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -140.78 118.46 11.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 73.32 110.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 40' ' ' LEU . 7.4 mt -64.31 144.67 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 74.03 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.522 ' CD2' HD11 ' A' ' 79' ' ' LEU . 95.3 m95 -126.92 158.0 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 61.42 107.977 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -128.35 97.7 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 75.51 109.978 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 125.73 27.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 75.3 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -121.79 112.84 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 70.22 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.49 31.99 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 72.35 110.402 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.07 -43.09 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 72.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.1 mt-10 -104.38 -14.0 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 74.45 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.56 50.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.21 109.338 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.54 -3.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.43 109.285 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t 73.51 45.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.41 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.08 176.46 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.22 109.973 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD12 ' CE3' ' A' ' 66' ' ' TRP . 4.0 pp -172.2 160.72 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 73.05 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -155.29 138.65 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 74.01 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 66' ' ' TRP . 13.8 tp -56.43 132.85 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 74.52 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 26.1 mt -95.27 146.09 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 65.41 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -139.07 92.28 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 74.05 110.385 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -125.66 167.52 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 74.34 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -60.7 -175.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 54.02 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -77.34 -34.49 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 71.14 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.9 m -56.81 -37.34 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 70.45 109.998 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 3.8 mt-10 -79.94 -45.16 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.24 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 91' ' ' LEU . 1.7 tp -61.42 -26.73 68.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.32 109.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.23 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 75.41 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -68.46 -27.27 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 50.42 109.981 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -112.44 -44.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.11 109.342 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mt -86.9 171.12 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 73.34 109.324 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -129.2 103.74 7.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 63.13 109.273 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.612 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.91 -58.0 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 64.21 109.265 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.95 -91.35 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 74.53 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -116.27 -2.19 12.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 74.54 110.352 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.526 ' CE2' HD11 ' A' ' 140' ' ' ILE . 10.9 m-85 -69.02 -171.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 74.33 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -146.76 148.86 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 73.02 109.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 99' ' ' THR . 2.9 t -138.59 164.08 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 75.22 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.506 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -134.75 114.67 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.23 110.422 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 111' ' ' TYR . 3.1 tp -90.44 121.88 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.33 109.325 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 t -115.13 136.87 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 74.24 109.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 m -138.5 131.67 30.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.3 110.391 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -75.81 167.35 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 72.44 109.27 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.4 tpp -59.04 -31.04 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.14 111.023 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 106' ' ' MET . 20.4 tt0 -70.53 -9.59 57.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 71.24 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 105' ' ' GLU . 19.7 ptm 44.77 22.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 75.42 111.055 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -100.46 -18.23 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 73.52 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p -123.26 134.58 54.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 70.04 109.96 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 100' ' ' LEU . 1.9 t -141.34 134.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.34 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.479 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 2.0 m-85 -128.71 153.33 47.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 75.24 110.963 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.554 ' CE1' HD22 ' A' ' 100' ' ' LEU . 47.2 m-85 -115.28 79.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 73.31 110.984 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -68.41 108.58 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.2 110.953 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mt -68.96 136.06 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 73.44 109.253 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -55.72 110.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 50.51 109.339 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 7.4 p-10 -140.21 43.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 71.22 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.99 -55.57 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 71.45 108.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -96.98 46.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 54.04 109.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.483 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 0.9 OUTLIER -67.81 -44.84 76.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 62.32 110.41 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -29.83 49.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 75.41 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.51 -23.8 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.43 109.323 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -79.25 -69.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 74.52 109.291 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.462 ' CG2' HD11 ' A' ' 136' ' ' LEU . 2.9 t -77.38 -65.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 74.12 109.261 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.28 -23.11 16.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 54.1 110.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.6 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 11.2 t -38.23 139.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 63.3 110.007 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.81 161.04 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.32 109.335 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 2' ' ' LEU . 2.0 p -67.76 -9.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.53 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -53.55 -67.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 74.53 110.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.421 ' O ' ' OG1' ' A' ' 131' ' ' THR . 20.1 m-70 -124.38 48.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 62.55 109.564 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 124' ' ' SER . 6.0 t80 -77.71 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 75.14 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.474 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 3.5 mm? -38.09 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 75.21 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' TYR . 25.8 p -81.91 -50.28 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 73.22 110.384 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.8 tpt85 -67.66 -54.81 16.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.52 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.66 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 58.1 t90 -40.82 -64.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.994 -1.113 . . . . 71.01 107.994 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' ILE . 6.3 tp -53.97 -51.74 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 70.35 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.439 ' N ' HG21 ' A' ' 134' ' ' ILE . 27.7 t -56.04 -16.57 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 74.31 109.991 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 132' ' ' ARG . 2.6 tt -96.52 -31.53 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.54 109.277 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.677 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 13.3 m-85 -94.17 -1.87 53.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 75.33 111.028 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 145' ' ' PHE . 4.7 tp -86.97 -19.72 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 72.52 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -74.41 -5.65 43.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 75.12 110.294 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 96' ' ' PHE . 13.6 mt -93.55 -9.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 75.42 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 48' ' ' LEU . 87.7 m-85 -118.58 -34.05 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 75.03 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -148.21 119.65 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.33 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 3.6 mt -96.84 2.72 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 75.22 109.288 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.86 -11.27 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.33 109.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -108.39 107.09 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.23 111.008 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.81 102.12 54.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 72.3 109.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.468 1.772 . . . . 72.53 110.957 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.452 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.988 -0.375 . . . . 61.12 109.988 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -6.61 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 71.4 111.008 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 6.9 tp -50.81 100.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.33 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 73.9 p -73.8 -167.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.32 110.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.4 tm? -76.34 -45.45 3.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 74.22 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.01 -10.77 21.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 74.25 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.7 mm-40 -88.41 -35.06 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 74.33 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.477 ' HB2' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.84 -20.89 24.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.23 111.007 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.82 -17.06 54.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.25 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.61 -22.81 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.53 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 18.6 mt-30 -114.82 12.96 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 73.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.96 -44.11 99.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 64.34 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.94 0.07 9.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 64.33 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.87 -37.06 11.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 74.11 109.295 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 55.6 t -68.96 -55.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 74.52 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 5.2 ptt85 -57.59 -30.05 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.34 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -58.43 -52.64 64.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 75.24 109.978 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -78.83 -23.69 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 75.32 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 6.3 tp -60.66 -27.57 67.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 71.24 109.259 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 44.7 p -62.28 -23.28 66.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 74.33 110.427 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.25 -14.91 62.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 73.13 109.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.565 ' CH2' HG23 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -68.67 115.86 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 70.11 107.996 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.65 -13.64 44.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 75.41 109.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CB ' HG13 ' A' ' 38' ' ' VAL . 42.8 mtpt -82.78 -22.68 34.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 75.41 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 27' ' ' ILE . 20.3 t -73.45 118.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.22 109.262 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -91.73 -27.61 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 73.31 110.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.76 132.21 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 70.42 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.4 mm -112.14 103.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 72.41 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 7.1 tt0 -122.4 151.4 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.12 110.307 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -119.75 157.71 28.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 64.01 109.302 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 34' ' ' LEU . 15.9 m -122.36 174.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 71.25 109.28 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.92 28.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.14 110.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -169.12 33.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.43 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' HA2' ' CD1' ' A' ' 11' ' ' ILE . . . 142.6 -119.19 1.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 52.04 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -162.26 172.92 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 71.13 109.325 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.4 tm0? -157.07 106.56 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 64.13 110.339 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.45 171.84 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 74.3 109.255 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -129.31 95.34 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 72.14 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG23 ' CH2' ' A' ' 21' ' ' TRP . 2.2 t -88.13 141.33 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.42 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mmt-85 -97.42 78.08 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 12.9 mt -51.74 -31.34 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.12 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.6 ttmt -157.98 159.56 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.23 109.277 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.39 -14.78 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 75.4 110.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.05 17.96 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.12 109.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.447 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 12.5 m -135.93 134.23 38.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.44 110.4 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -124.66 125.73 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 73.21 109.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.577 HD22 ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -111.87 116.38 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 73.14 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 66' ' ' TRP . 2.3 mp0 -100.34 121.58 41.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.5 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -101.35 127.36 48.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.13 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 11.5 m170 -120.4 102.83 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.33 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 14.7 tt -85.69 136.21 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 74.34 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 33.1 p90 -152.66 172.65 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.41 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.468 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 1.8 t80 -109.8 141.19 42.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.14 111.019 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.64 123.17 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 70.3 109.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.18 3.81 47.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 71.22 109.581 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 56' ' ' TYR . 1.4 p -101.16 -31.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 75.21 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.572 ' CE2' HG11 ' A' ' 55' ' ' VAL . 55.8 m-85 -116.92 -13.51 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.21 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.442 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 11.6 m-70 60.61 53.13 4.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 73.4 109.594 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 0' ' ' SER . 0.0 OUTLIER -153.4 164.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 72.25 109.258 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -75.02 148.2 34.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 73.42 111.009 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 m -133.19 174.23 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 53.42 109.963 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 9.7 mt -135.98 131.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.12 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 11.3 ttpt -143.29 118.58 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 75.42 109.257 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 54.0 p90 -138.24 159.99 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 75.41 110.991 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.58 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -132.14 133.54 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.45 110.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.0 mt -72.07 141.93 49.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 72.35 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 95.2 m95 -127.54 153.7 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 72.13 107.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -125.88 97.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.42 109.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 124.93 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.21 109.28 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.63 114.02 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.3 109.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.39 34.65 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 62.14 110.391 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -36.04 67.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 73.13 110.328 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.09 -1.94 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 74.31 110.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.56 48.27 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 74.33 109.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.414 ' CG2' ' HB2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -116.89 -6.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.51 109.297 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.7 t 78.45 50.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.12 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.02 177.81 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.33 110.034 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.602 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.07 162.85 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 75.33 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.68 131.92 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 75.12 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.507 HD11 ' CE2' ' A' ' 66' ' ' TRP . 7.5 tp -51.16 136.88 23.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 73.11 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 38.9 mt -100.76 154.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.33 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -143.43 88.39 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 62.5 110.374 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -121.96 167.14 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 74.15 109.258 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -66.68 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 75.45 109.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -21.3 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 60.43 109.314 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.5 m -64.47 -32.93 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.32 109.98 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 89' ' ' SER . 5.3 mt-10 -89.02 -46.99 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 73.13 110.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 111' ' ' TYR . 2.6 tt -55.7 -50.89 69.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.11 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -16.19 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 75.01 110.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 1.8 t -64.46 -27.32 68.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 71.35 109.974 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -112.67 -33.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 63.23 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 11.9 mt -94.22 173.26 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 73.11 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 63.5 m-80 -135.06 105.0 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 74.52 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.87 -57.99 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.22 109.361 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 53.41 -88.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 71.23 111.021 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.2 t -106.52 20.32 19.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 71.54 110.41 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.74 162.7 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.52 111.03 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -129.16 158.88 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 64.34 109.99 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.91 169.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.41 109.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -143.05 117.01 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 75.42 110.383 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.52 HD13 ' CZ ' ' A' ' 111' ' ' TYR . 22.0 tp -97.5 120.98 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 70.25 109.257 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.426 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 5.3 t -114.79 158.72 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 74.45 109.949 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.3 m -131.92 146.72 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.31 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 169.88 15.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 74.44 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -62.79 -17.09 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.42 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -89.24 -13.24 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 73.4 110.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 36.8 mtp 50.36 25.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.03 110.99 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -16.79 14.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 74.13 109.322 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -128.77 139.46 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 75.35 109.976 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 101' ' ' SER . 3.0 t -143.46 136.42 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 71.35 109.285 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.521 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 1.6 m-85 -119.97 157.96 27.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 74.34 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.52 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 44.2 m-85 -110.98 77.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.41 111.046 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 75.3 m-85 -65.85 113.25 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.22 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -70.84 141.96 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.32 109.278 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.68 111.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 75.11 109.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.2 t30 -136.53 35.9 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 51.31 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.95 -55.5 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 61.11 108.288 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -133.54 93.77 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 72.14 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.49 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -83.17 -42.55 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 73.11 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.407 ' N ' HG21 ' A' ' 118' ' ' THR . 1.6 t70 -58.17 -31.7 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.35 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.32 -13.59 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 72.44 109.329 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.01 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 123' ' ' GLY . 12.1 p -79.88 -55.12 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.42 109.271 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.441 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 76.19 -5.65 40.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 74.42 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.0 m -38.24 142.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 73.35 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.22 157.4 16.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 62.01 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.53 -11.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.22 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 78.0 mt-10 -63.04 -68.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 62.24 110.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 46.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.15 109.617 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 124' ' ' SER . 4.1 t80 -75.72 -41.07 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.23 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 4.2 mm? -70.46 -18.32 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 74.03 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.7 p -90.32 -47.74 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 65.3 110.39 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.84 -45.55 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 75.1 110.332 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 79.0 t90 -52.42 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 74.41 108.032 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 138' ' ' ILE . 5.7 tp -53.94 -55.81 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 75.53 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 134' ' ' ILE . 17.8 t -57.07 -15.27 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 62.15 110.051 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -94.03 -33.51 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 71.21 109.271 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 12.1 m-85 -94.6 -3.09 50.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 75.15 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 145' ' ' PHE . 4.7 tp -81.68 -20.34 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 73.32 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -76.87 -5.82 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.14 110.304 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 19.0 mt -92.99 -10.19 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 75.42 109.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 48' ' ' LEU . 84.5 m-85 -119.39 -33.33 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 71.13 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 49.7 t0 -147.63 112.24 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 70.44 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.426 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 1.3 mt -86.05 3.03 44.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 73.04 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -111.38 -15.04 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.3 109.322 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.565 ' CE1' HG12 ' A' ' 138' ' ' ILE . 25.6 t80 -71.89 111.02 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.52 111.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.31 112.35 59.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 65.05 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.443 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 72.44 110.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.972 -0.381 . . . . 65.34 109.972 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt -132.87 6.48 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 73.2 110.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 13.3 tp -50.76 110.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 74.21 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 64.3 p -78.86 -171.19 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 75.22 110.44 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -75.5 -45.7 4.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 71.42 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -7.32 19.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.558 1.82 . . . . 73.22 110.962 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -88.3 -41.26 13.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 74.43 110.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.579 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -84.6 -35.84 22.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 72.42 111.043 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.579 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.2 t-20 -66.06 -23.78 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 74.05 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -68.92 -25.2 64.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.24 110.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.446 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 3.7 mt-30 -114.37 15.24 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 75.43 110.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -63.92 -46.42 81.23 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.34 109.3 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.96 -0.04 9.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 73.42 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.3 m-20 -89.48 -33.93 16.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 75.33 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 72.8 t -73.52 -44.13 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 54.42 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -68.47 -19.11 64.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 71.22 110.293 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 t -77.25 -42.98 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 60.12 110.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 147' ' ' PRO . 2.3 pp -78.61 -25.59 45.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.12 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -58.18 -19.33 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.04 109.328 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 p -64.78 -11.26 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.03 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -85.05 -19.25 32.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 70.3 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.572 ' CE3' HG21 ' A' ' 24' ' ' VAL . 1.5 t90 -70.46 119.0 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 75.33 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.47 -1.85 58.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 64.55 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 2.4 mtpp -93.51 -26.35 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 74.02 109.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG21 ' CE3' ' A' ' 21' ' ' TRP . 26.2 t -65.24 129.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 64.41 109.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -112.81 -20.91 11.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.33 110.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 11.5 ttt-85 -133.6 151.21 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 74.41 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -139.27 111.53 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.51 109.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 10.8 tt0 -146.75 153.5 40.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 72.13 110.29 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 30' ' ' VAL . 6.2 t70 -112.26 166.16 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 73.24 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 2.8 m -138.15 -178.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.43 109.303 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.3 tt0 -78.95 93.91 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 54.31 110.344 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 81.42 43.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.13 109.313 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 170.68 -170.07 42.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 70.31 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -148.12 146.01 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 63.34 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -123.01 117.61 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.23 110.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -125.12 149.51 47.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 73.44 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.416 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 69.8 m-20 -101.91 95.15 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 73.12 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.569 HG12 ' CH2' ' A' ' 21' ' ' TRP . 21.8 t -78.2 111.82 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 75.32 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.516 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -85.17 88.82 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 75.03 110.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD13 ' CG1' ' A' ' 38' ' ' VAL . 11.2 mp -69.72 -50.16 46.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 74.52 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 18.7 ttmt -133.81 153.52 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 74.54 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -61.0 -14.95 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 73.55 110.421 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' LEU . 76.3 m-20 -122.44 15.9 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.11 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -139.4 149.59 44.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.31 110.381 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 66' ' ' TRP . 1.4 tm? -140.16 136.01 33.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 75.34 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 63' ' ' PHE . 2.3 tm? -126.04 102.06 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 74.44 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 18.0 mt-10 -79.73 121.85 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 44.2 110.327 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 1.8 tt -108.96 140.66 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 72.54 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -135.22 107.25 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 71.01 109.563 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 5.9 tt -85.33 127.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 73.13 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 6.4 p90 -142.76 136.57 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.04 111.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD1' HD22 ' A' ' 4' ' ' LEU . 3.9 t80 -82.89 144.47 30.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 75.22 110.981 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -120.24 123.82 44.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 75.12 109.254 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.45 ' CE1' ' CD2' ' A' ' 4' ' ' LEU . 2.6 m-70 -79.44 1.38 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 63.21 109.571 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' ' 56' ' ' TYR . 85.1 t -66.84 -45.96 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 74.1 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.42 ' CD2' HG13 ' A' ' 55' ' ' VAL . 53.2 m-85 -122.08 8.72 9.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.25 111.004 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 56.98 46.35 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 61.43 109.599 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.411 ' CG1' HG22 ' A' ' 118' ' ' THR . 0.2 OUTLIER -149.31 163.29 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.23 109.257 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -75.03 160.01 40.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 73.13 111.026 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 67.2 m -126.73 -177.51 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 75.42 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 137' ' ' TYR . 10.8 mt -138.03 135.61 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.02 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -155.72 115.98 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 75.02 109.289 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.618 ' CE1' ' CB ' ' A' ' 111' ' ' TYR . 11.4 p90 -141.88 171.09 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.21 111.014 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.583 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 9.2 mtp180 -137.47 144.39 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.53 110.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 85.6 mt -87.94 148.17 24.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 74.42 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.583 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 88.1 m95 -140.39 162.47 35.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.5 107.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -133.3 97.91 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.12 110.007 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -68.03 124.2 22.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.23 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.09 110.94 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 45.11 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.32 31.21 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 54.32 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -43.17 -42.22 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 73.43 110.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.7 mt-10 -105.88 -13.65 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 73.23 110.362 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.85 50.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 74.12 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -111.87 -7.97 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.21 109.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.9 t 78.04 38.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 71.31 109.992 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -75.29 175.14 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 74.31 110.005 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.438 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.6 pp -167.25 162.66 15.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.41 109.305 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' SER . 20.0 ttp-105 -154.12 135.5 14.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 74.34 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 16.0 tp -53.74 132.53 41.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.4 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 32.6 mt -99.94 162.62 12.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 72.21 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -156.52 116.91 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 72.22 110.394 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -145.45 167.14 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 73.22 109.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -62.72 -168.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 71.31 109.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.07 -52.64 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.44 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t -62.37 -31.83 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 74.4 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 2.3 mm-40 -68.37 -30.08 68.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 74.42 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 91' ' ' LEU . 7.4 tp -87.9 -31.71 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.3 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -23.65 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 74.14 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -54.18 -19.72 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 65.2 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.405 ' CD1' HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.27 -43.77 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 74.04 109.337 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 10.4 mt -80.66 -179.84 7.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.22 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.5 m-80 -142.61 100.01 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 50.11 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.629 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.93 -58.18 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 73.11 109.291 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.28 -88.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 63.34 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -112.66 -10.3 13.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 75.33 110.387 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -71.49 -171.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.53 110.953 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.6 m -151.67 158.28 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 73.43 110.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 99' ' ' THR . 2.7 p -142.61 164.46 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 73.41 109.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.424 ' N ' ' CG2' ' A' ' 98' ' ' VAL . 1.2 m -130.29 117.28 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 73.45 110.404 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 111' ' ' TYR . 4.1 tt -102.27 125.83 49.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 75.23 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 t -121.76 135.56 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.22 109.965 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.469 ' CG2' HG22 ' A' ' 109' ' ' VAL . 41.0 m -128.01 142.24 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 73.14 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -80.98 162.08 24.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 74.33 109.255 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.0 ttp -59.6 -28.73 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 74.44 111.052 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.96 -9.93 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 72.42 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt 54.46 27.29 8.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 75.25 111.01 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.457 ' CE ' ' OG ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -108.3 -20.2 13.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 74.45 109.266 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.457 ' OG ' ' CE ' ' A' ' 107' ' ' LYS . 3.6 m -118.66 118.52 31.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 45.14 110.002 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 102' ' ' THR . 2.3 t -144.59 141.96 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.54 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -139.31 -178.21 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.21 111.015 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.618 ' CB ' ' CE1' ' A' ' 63' ' ' PHE . 20.1 m-85 -137.91 81.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.31 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 26.9 m-85 -77.77 97.38 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 74.12 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.6 mt -58.67 153.85 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 71.43 109.317 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.543 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -75.39 106.07 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.25 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -128.79 17.51 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.34 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -61.27 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.11 108.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.443 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 3.2 m-20 -96.56 57.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 73.33 109.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.411 HG22 ' CG1' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -83.18 -6.02 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.2 110.392 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.56 -39.65 73.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.093 . . . . 75.12 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.6 -11.11 49.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 72.14 109.232 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 1.0 OUTLIER -66.89 -69.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 72.34 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 129' ' ' TYR . 1.9 t -97.36 -65.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 62.12 109.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 36.79 31.9 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 62.01 111.054 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' VAL . 88.8 p -83.61 -75.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 74.24 110.031 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.404 ' N ' ' OG ' ' A' ' 124' ' ' SER . 1.1 t0 -153.26 133.48 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 75.14 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.445 ' CG1' HD13 ' A' ' 2' ' ' LEU . 82.8 t -63.76 -15.96 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.02 109.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.19 -67.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 62.23 110.283 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.05 46.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 75.13 109.607 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 4.0 t80 -78.14 -40.38 38.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 73.22 111.021 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 4.4 mm? -68.91 -22.58 64.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.43 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 134' ' ' ILE . 81.9 p -89.92 -32.54 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 72.13 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 tpt85 -90.12 -16.4 29.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 74.51 110.285 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.522 ' CE2' ' HG2' ' A' ' 59' ' ' PRO . 61.3 t90 -85.83 -43.65 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 73.02 108.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.543 HD12 ' CE2' ' A' ' 137' ' ' TYR . 6.6 tp -55.27 -48.42 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 74.13 109.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.498 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 0.5 OUTLIER -75.44 -0.84 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.436 ' CD1' HG21 ' A' ' 122' ' ' VAL . 6.9 tt -99.64 -38.62 8.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 74.32 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -92.87 -43.0 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.51 111.012 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 7.1 tp -53.93 -20.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 74.13 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 135' ' ' SER . 14.4 mtp180 -64.34 -8.23 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.15 110.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 137' ' ' TYR . 1.2 mm -85.13 -10.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 62.51 109.342 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 2.9 m-85 -122.27 -38.13 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 75.42 111.005 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.417 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 5.7 t0 -134.74 114.99 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 74.5 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.0 mt -97.86 3.18 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 71.14 109.331 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -113.65 -11.29 12.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 73.21 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -71.43 112.16 7.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.02 111.017 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.74 106.37 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.53 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.484 ' CG ' ' OG ' ' A' ' 135' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 71.52 111.027 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.464 ' CB ' ' CG1' ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.036 -0.357 . . . . 72.12 110.036 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm -130.8 4.58 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 75.03 111.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 13.7 tp -63.36 104.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 74.1 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 80.8 p -73.67 -170.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.41 110.429 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -75.91 -45.39 3.94 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 73.44 109.275 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -11.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 75.43 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 80.2 mt-10 -87.85 -33.44 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 74.4 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CD2' HD12 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.49 -23.32 23.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 75.32 111.029 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.477 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -75.43 -16.89 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.23 109.278 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.83 -22.83 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 74.53 110.333 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 30.3 mt-30 -116.33 14.28 15.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 74.42 110.255 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -61.15 -45.39 95.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 71.45 109.285 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.95 -0.2 9.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 70.44 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 7.6 m-20 -93.78 -33.03 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.43 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' CG1' ' CD1' ' A' ' 134' ' ' ILE . 69.7 t -78.43 -44.57 26.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 73.44 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 13.0 ptt85 -66.02 -19.23 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 73.53 110.32 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 12.7 t -74.32 -56.96 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 50.23 109.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 147' ' ' PRO . 3.6 pp -66.69 -22.67 66.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 71.13 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -58.57 -22.32 55.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 73.25 109.292 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 16' ' ' SER . 61.9 p -66.84 -8.51 29.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.01 110.44 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 13.6 mtpp -81.62 -18.68 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 72.15 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CZ3' HG22 ' A' ' 38' ' ' VAL . 1.3 t90 -75.58 118.64 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 74.44 108.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.5 -18.66 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 74.35 109.266 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -74.02 -17.41 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 73.03 109.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG1' HG12 ' A' ' 27' ' ' ILE . 25.0 t -80.89 117.43 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.15 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.22 -30.09 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 75.43 110.279 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.13 135.99 49.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.53 110.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.436 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.7 mm -119.62 107.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.45 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 8.0 tt0 -128.07 147.95 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 71.4 110.318 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 142.96 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 52.32 109.292 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 34' ' ' LEU . 16.8 m -111.14 171.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 75.02 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.51 36.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 73.33 110.263 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 178.66 39.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 74.31 109.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' CA ' HG23 ' A' ' 50' ' ' ILE . . . 142.81 -125.43 2.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 65.24 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -168.69 151.27 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 74.33 109.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -130.56 108.02 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 75.32 110.304 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -109.68 170.89 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 74.44 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.46 ' OD1' ' CD2' ' A' ' 45' ' ' LEU . 8.7 t70 -128.4 95.53 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 72.02 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 2.3 t -92.25 136.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 74.43 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.31 79.21 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.21 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 9.6 mt -53.46 -35.37 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 74.11 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 11.1 ttmt -149.08 158.23 44.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 74.31 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -58.05 -16.33 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.24 110.396 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.73 25.06 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.42 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.445 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 17.4 m -140.54 133.67 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.02 110.43 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -119.22 125.15 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 73.23 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.578 ' CD2' ' CD2' ' A' ' 63' ' ' PHE . 1.1 tm? -102.82 97.4 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 74.34 109.336 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -74.24 100.61 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.35 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -93.68 123.31 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 75.03 109.306 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.56 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -128.29 117.73 21.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.23 109.628 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.531 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.9 tt -89.89 144.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.23 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 4.7 p90 -160.35 150.99 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 75.4 111.006 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -104.75 156.97 17.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 74.31 110.985 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 4.7 t0 -117.26 131.29 56.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.53 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.425 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -88.18 3.54 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.33 109.606 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.5 t -100.26 -26.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.51 109.285 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 51.4 m-85 -110.45 -15.54 13.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 70.21 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 60.84 40.93 15.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 71.14 109.581 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 ' CG1' ' CB ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -151.89 164.19 21.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 75.23 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 73.22 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.545 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 23.1 t -142.62 -179.95 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 75.41 109.961 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 137' ' ' TYR . 68.3 mt -148.7 143.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 73.5 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HB2' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -152.01 136.54 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 74.43 109.309 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.578 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 55.7 p90 -152.42 165.86 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 75.12 111.02 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.617 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -143.09 112.86 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 74.52 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.2 mt -48.03 149.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.35 109.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.644 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 98.5 m95 -136.01 151.73 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 74.13 107.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 29.5 t -122.68 96.92 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 70.03 110.033 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.82 123.67 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 72.03 109.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.53 113.12 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.31 109.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.49 36.76 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 63.54 110.39 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.44 -40.08 64.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 71.31 110.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -107.28 -2.46 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 74.4 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.85 49.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 72.22 109.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.4 -9.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 71.22 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.87 42.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 74.41 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.404 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -80.56 175.54 10.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.33 110.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.644 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.6 pp -164.42 169.04 17.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.32 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.84 126.42 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.44 110.306 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 5.8 tp -60.34 125.04 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 73.42 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 38.2 mt -95.15 162.62 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 71.14 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -152.19 86.19 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 74.45 110.466 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -114.26 167.54 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 74.31 109.321 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 m -61.93 -170.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.32 110.006 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.84 -23.36 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.23 109.256 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -64.0 -33.54 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 72.31 109.986 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 3.0 mt-10 -89.81 -41.22 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 72.21 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.87 -40.14 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.41 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -66.22 -25.8 67.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 75.1 110.274 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -50.75 -21.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 44.22 110.005 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 -41.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.12 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.578 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 16.0 mt -82.49 -179.59 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 72.54 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 140' ' ' ILE . 70.3 m-80 -139.8 103.09 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.34 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.613 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.55 -58.17 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 71.41 109.333 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.31 -81.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 74.01 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.9 t -112.91 -21.32 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 74.3 110.383 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.42 -171.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.41 110.985 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 m -152.18 165.67 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.31 110.001 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 99' ' ' THR . 5.9 p -140.88 167.96 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.25 109.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 98' ' ' VAL . 1.0 OUTLIER -137.04 110.33 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 74.23 110.419 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 111' ' ' TYR . 3.7 tt -91.26 129.18 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.33 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.422 ' N ' HD21 ' A' ' 100' ' ' LEU . 16.8 t -122.6 149.75 43.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 62.25 110.003 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.5 m -147.31 162.51 38.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 73.55 110.349 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.23 169.13 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 74.13 109.279 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.9 ttp -56.39 -39.61 73.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 73.23 110.951 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.86 -20.02 7.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 71.35 110.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.5 mtt 57.02 19.23 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.11 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -38.76 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 74.34 109.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -94.78 141.77 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 71.13 110.04 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.603 ' O ' ' CD1' ' A' ' 110' ' ' TYR . 13.0 t -148.55 167.33 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 74.45 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 109' ' ' VAL . 2.3 m-85 -157.93 166.04 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 73.01 110.993 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.559 ' CE1' HD13 ' A' ' 100' ' ' LEU . 42.4 m-85 -134.21 79.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 75.01 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 62' ' ' LYS . 96.3 m-85 -75.02 117.77 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 75.22 111.038 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 141' ' ' PHE . 5.0 mt -71.07 136.44 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 65.51 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -56.53 111.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.23 109.288 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.497 ' CB ' ' OH ' ' A' ' 137' ' ' TYR . 4.7 p-10 -139.22 18.32 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 62.31 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.5 p -52.81 -46.86 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 64.3 108.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.86 89.3 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.23 109.307 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -81.5 -32.12 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 74.52 110.394 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.424 ' N ' HG23 ' A' ' 118' ' ' THR . 1.2 p-10 -61.85 -26.45 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 74.23 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.46 -12.07 47.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 74.13 109.281 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -88.49 -68.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 75.4 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 129' ' ' TYR . 7.4 p -99.62 -53.7 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 64.51 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.449 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 36.23 40.01 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 53.42 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.4 m -73.84 -80.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 73.13 110.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -161.57 147.01 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 74.33 109.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.7 -12.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.11 109.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.406 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 38.5 mt-10 -59.12 -67.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 70.31 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -119.83 46.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.1 109.592 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.559 ' CE1' HG12 ' A' ' 122' ' ' VAL . 4.1 t80 -71.46 -37.81 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 70.51 111.047 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 7' ' ' TYR . 3.2 mm? -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.22 109.32 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -88.12 -36.8 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.45 110.401 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -82.49 -16.2 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 71.21 110.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.61 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 75.4 t90 -87.11 -45.95 10.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 74.33 107.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 138' ' ' ILE . 5.6 tp -56.39 -49.75 75.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 73.23 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 30.7 t -67.12 -4.39 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.4 109.945 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.452 ' CD2' ' HB ' ' A' ' 122' ' ' VAL . 1.4 tp -93.46 -54.47 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 72.34 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.61 ' CE1' ' NE1' ' A' ' 133' ' ' TRP . 9.7 m-85 -78.92 -46.46 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 64.33 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 134' ' ' ILE . 5.4 tp -49.36 -28.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 74.33 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 135' ' ' SER . 27.0 mtp180 -58.32 -36.91 74.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 75.3 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASN . 42.0 mt -64.49 -10.26 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 74.13 109.341 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 5.0 m-85 -113.73 -31.73 6.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 75.25 111.021 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.562 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.49 110.28 4.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 72.31 109.302 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.64 3.64 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 71.53 109.264 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -106.46 -23.56 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 61.32 109.336 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.8 OUTLIER -92.14 109.44 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 73.31 110.975 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.2 98.56 51.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 70.41 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.462 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 73.2 110.992 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.507 ' N ' ' CE2' ' A' ' 129' ' ' TYR . 90.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.993 -0.373 . . . . 73.44 109.993 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt -130.81 7.52 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.1 110.983 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -55.84 145.3 24.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 75.21 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.513 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 32.4 p -65.91 -177.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.11 110.374 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.5 tm? -77.38 -44.07 2.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 75.13 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.95 -9.38 20.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 74.2 111.035 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 27.8 mm-40 -88.67 -36.71 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.51 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CE1' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -78.33 -30.68 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.23 110.984 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.564 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 10.9 m-20 -73.17 -15.06 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 54.54 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -68.94 -23.14 64.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 73.34 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -115.74 18.61 15.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 72.23 110.345 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -64.12 -47.41 79.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 75.44 109.318 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 74.41 111.002 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.7 m-20 -91.11 -35.85 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 73.42 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' CD1' ' A' ' 134' ' ' ILE . 24.3 t -67.47 -54.83 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.23 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' O ' ' CG2' ' A' ' 19' ' ' THR . 27.2 ptt85 -64.83 -32.28 73.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 73.42 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' OG1' ' A' ' 19' ' ' THR . 2.2 t -54.14 -42.43 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 71.33 110.061 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 2.5 pp -88.1 -32.66 18.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 74.3 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 138' ' ' ILE . 8.3 tp -57.2 -18.85 17.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 73.42 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 15' ' ' ARG . 68.3 p -59.38 -19.6 48.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 44.43 110.397 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -72.74 -24.39 60.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.2 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CE3' HG22 ' A' ' 24' ' ' VAL . 1.7 t90 -57.43 126.83 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.31 107.988 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.99 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.4 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -81.13 -24.62 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.35 109.32 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG22 ' CE3' ' A' ' 21' ' ' TRP . 13.5 t -67.05 113.85 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 65.14 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.47 -36.76 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.54 110.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.09 147.35 49.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 75.14 110.355 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mm -132.47 129.75 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.41 109.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -157.13 139.48 14.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 72.13 110.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -102.82 154.61 19.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 74.5 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -130.43 172.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.45 109.288 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 31' ' ' GLN . 2.9 pt20 -70.91 95.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 72.21 110.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER 76.33 52.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 74.52 109.327 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.1 -164.98 38.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.085 . . . . 62.32 111.029 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -159.03 142.03 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 75.4 109.317 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -127.68 113.98 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 72.33 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.84 164.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 74.54 109.304 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -119.97 95.34 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 73.22 109.304 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG23 ' CH2' ' A' ' 21' ' ' TRP . 11.9 t -84.75 126.99 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 74.41 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -90.9 84.79 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 73.33 110.341 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' A' ' 46' ' ' LEU . 7.4 mp -66.62 -40.33 88.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 75.22 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -139.61 154.16 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 73.22 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -59.48 -17.81 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.13 110.43 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 20.28 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.45 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 18.0 m -137.87 144.71 41.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 70.33 110.424 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -132.18 136.18 46.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 75.42 109.338 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' CB ' ' CD1' ' A' ' 40' ' ' LEU . 2.2 tm? -114.5 102.3 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.41 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.28 104.09 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 72.24 110.265 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 141' ' ' PHE . 0.5 OUTLIER -94.98 133.43 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 75.12 109.295 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.38 106.29 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.21 109.633 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 9.4 tt -85.0 135.24 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 75.43 109.329 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CE1' ' OG ' ' A' ' 60' ' ' SER . 22.2 p90 -150.27 135.31 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 75.33 111.042 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.552 ' CD1' HD22 ' A' ' 4' ' ' LEU . 40.7 t80 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.43 111.002 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.51 115.67 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 74.32 109.304 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -81.47 3.63 24.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 71.51 109.605 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.1 t -86.49 -40.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 73.31 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.23 -7.27 10.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 72.44 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 53.9 m-70 65.64 45.84 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 72.13 109.592 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 0' ' ' SER . 0.1 OUTLIER -144.78 157.95 53.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 74.3 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.4 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.769 . . . . 73.12 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.593 ' OG ' ' CE1' ' A' ' 51' ' ' TYR . 22.9 t -117.99 170.74 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.52 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' ' CZ2' ' A' ' 133' ' ' TRP . 13.2 mt -138.55 124.12 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 73.44 109.274 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -137.99 120.47 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.51 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 42.3 p90 -130.17 148.01 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.33 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.6 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 10.4 mtm180 -123.99 118.37 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.23 110.292 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 77.6 mt -63.21 142.56 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 74.31 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.0 m95 -135.23 151.77 50.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 73.44 107.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -123.91 97.6 5.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 55.4 110.005 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.83 123.08 19.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 74.34 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -120.92 113.5 20.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.42 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.47 37.73 2.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.42 110.403 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.25 -42.85 52.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 71.13 110.276 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 2.9 mt-10 -102.84 -8.41 20.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 75.32 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t70 81.62 43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 73.03 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -111.76 11.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 64.21 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.91 40.05 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 75.31 109.993 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -69.51 -178.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 64.4 109.98 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.489 HD13 ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.49 163.03 6.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -155.23 130.88 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.14 110.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 7.3 tp -57.15 126.66 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 74.12 109.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 26.3 mt -93.17 145.74 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 75.34 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 m -135.99 94.72 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.33 110.404 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.33 167.18 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 73.31 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 p -72.83 -172.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 64.42 109.988 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' GLU . 5.1 t70 -68.92 -53.8 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 72.53 109.317 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m -38.81 -30.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 73.34 110.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 89' ' ' SER . 2.1 mt-10 -89.4 -45.73 9.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 72.13 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.417 ' CG ' HD11 ' A' ' 91' ' ' LEU . 48.3 tp -58.96 -61.16 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 64.15 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -49.25 -23.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 70.44 110.303 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.8 t -51.13 -38.9 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 65.14 109.995 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.3 pt -108.03 -34.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.3 109.337 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 5.8 mt -77.14 178.82 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 62.52 109.322 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 140' ' ' ILE . 70.3 m-80 -141.57 91.21 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.51 109.324 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.636 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -91.74 -57.98 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.25 109.343 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.3 -79.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 63.54 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.0 t -112.86 -18.44 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 53.12 110.388 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.34 -171.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.2 110.96 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -149.29 167.23 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 72.14 110.003 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.4 p -152.49 165.41 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 62.44 109.266 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -143.17 130.43 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 73.44 110.368 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 111' ' ' TYR . 10.6 tp -91.0 128.67 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 75.32 109.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.454 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 31.5 t -123.39 150.07 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 73.21 109.956 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.45 ' CG2' HG21 ' A' ' 109' ' ' VAL . 6.6 m -152.36 155.6 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 75.24 110.364 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.16 161.36 15.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 74.22 109.336 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.34 -34.02 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 73.42 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -23.09 63.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 74.13 110.342 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.2 mtp 55.08 22.33 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 74.04 111.027 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.87 -37.48 11.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 74.15 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t -115.39 153.22 31.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 75.5 109.998 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.45 HG21 ' CG2' ' A' ' 102' ' ' THR . 67.4 t -148.26 158.14 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 71.41 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 101' ' ' SER . 1.1 p90 -160.49 146.07 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.32 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CD1' HD12 ' A' ' 100' ' ' LEU . 74.9 m-85 -102.31 122.54 44.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 75.44 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -100.52 119.97 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 73.04 110.993 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.435 HD11 ' CE1' ' A' ' 141' ' ' PHE . 4.7 mt -74.03 131.5 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.55 109.273 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.91 113.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.42 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.3 t30 -142.93 47.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 72.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 80.2 m -71.52 -53.72 12.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.12 108.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 0.4 OUTLIER -134.05 95.37 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 60.32 109.299 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.1 m -69.29 -13.43 62.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 71.31 110.418 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.66 -17.76 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 62.35 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.54 43.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 62.01 109.297 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 0.5 OUTLIER -95.28 -66.17 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.44 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 136' ' ' LEU . 2.8 t -74.03 -66.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.143 . . . . 73.21 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 34.15 35.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 72.52 111.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' VAL . 65.4 m -73.97 -80.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 72.35 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -162.86 130.74 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 61.21 109.269 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 2' ' ' LEU . 33.0 t -57.3 -18.11 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.13 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.89 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 74.03 110.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.4 47.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 62.32 109.553 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' CE2' ' N ' ' A' ' 0' ' ' SER . 2.1 t80 -73.33 -35.46 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.45 110.965 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 4.5 mm? -68.82 -24.89 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 72.54 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 p -90.03 -32.69 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 64.41 110.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' O ' ' CD ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -87.84 -17.13 32.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 63.2 110.295 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.64 ' CZ2' ' CD1' ' A' ' 61' ' ' ILE . 79.9 t90 -86.88 -44.29 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.3 107.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.508 ' O ' ' CG2' ' A' ' 138' ' ' ILE . 7.1 tp -58.18 -49.03 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 73.54 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 2.4 t -72.87 -2.89 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 72.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -97.83 -39.93 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 75.24 109.292 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 138' ' ' ILE . 0.0 OUTLIER -91.89 -50.38 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.55 111.001 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.619 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 7.0 tp -42.57 -28.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 73.44 109.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 135' ' ' SER . 76.4 mtt-85 -62.05 -46.35 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.11 110.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.5 mt -50.74 -20.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 72.14 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 48' ' ' LEU . 7.5 m-85 -104.03 -34.53 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.45 111.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 48.2 t0 -148.67 100.38 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.11 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 139' ' ' ARG . 12.5 mt -82.84 3.16 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 74.1 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.73 -22.23 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 75.3 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.455 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 50.2 t80 -80.89 109.54 15.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.44 110.998 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 103.44 52.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 64.22 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 75.23 110.968 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.464 ' CB ' ' CG1' ' A' ' 58' ' ' VAL . 53.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.963 -0.384 . . . . 75.23 109.963 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptp -117.57 -11.98 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 71.21 110.952 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -50.12 101.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.41 109.27 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.496 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 55.4 p -71.88 -165.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 65.44 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.2 tm? -76.71 -45.72 3.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 72.41 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.96 -9.29 20.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 73.52 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -88.54 -36.0 16.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.31 110.305 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -88.66 -33.32 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.41 110.988 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.548 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 12.0 t-20 -67.59 -21.11 65.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 75.25 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -75.19 -24.09 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.5 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 30.3 mt-30 -109.46 13.91 23.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 65.3 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -62.14 -45.18 90.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.31 109.3 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.99 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 71.02 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.9 m-20 -91.01 -34.21 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.44 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 39.0 t -77.07 -51.84 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 61.24 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -62.97 -18.31 63.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 65.11 110.294 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 19' ' ' THR . 12.6 t -76.59 -45.38 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 70.24 109.986 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD21 ' CG2' ' A' ' 134' ' ' ILE . 1.7 pp -77.6 -25.89 50.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 73.02 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 134' ' ' ILE . 1.8 mm? -57.96 -17.8 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.32 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 16' ' ' SER . 81.9 p -63.73 -14.34 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.42 110.392 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.53 -18.0 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 74.21 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.568 ' CE3' ' CG2' ' A' ' 24' ' ' VAL . 1.7 t90 -73.94 124.39 26.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.51 108.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.52 -15.7 28.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 74.21 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -79.43 -15.05 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 62.43 109.303 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 39.2 t -80.52 123.62 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.32 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.95 -22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 75.33 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 6.1 ttt85 -126.77 131.21 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 75.22 110.231 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -125.07 109.1 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 71.23 109.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 17.6 tt0 -142.82 153.87 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 74.21 110.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -115.39 162.48 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 73.33 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.419 ' CG2' ' C ' ' A' ' 33' ' ' GLY . 2.3 m -139.36 159.86 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.24 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -55.63 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.44 110.323 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER 78.22 53.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.23 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . 165.74 -172.88 41.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 65.22 110.994 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -154.01 146.66 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 70.21 109.288 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.2 tm0? -127.54 115.35 18.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 75.31 110.321 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.6 150.53 40.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 75.3 109.302 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 7.2 m-20 -101.64 95.33 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 70.24 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG12 ' CH2' ' A' ' 21' ' ' TRP . 6.4 t -82.23 134.28 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 64.24 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.17 94.0 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.03 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 90' ' ' ILE . 16.9 mt -71.35 -49.29 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 72.25 109.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.8 ttmt -135.57 158.01 45.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 74.31 109.289 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.432 ' HA ' ' NE ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -56.56 -19.98 18.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 71.23 110.436 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -128.56 24.22 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 72.14 109.246 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 66' ' ' TRP . 11.7 m -141.03 134.48 29.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 55.02 110.399 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 66' ' ' TRP . 1.0 OUTLIER -119.76 146.39 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 75.24 109.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.2 tm? -130.33 106.19 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.05 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 12.7 mt-10 -84.68 114.87 22.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 73.05 110.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 141' ' ' PHE . 1.1 tt -102.78 139.91 37.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 74.31 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 1.2 m170 -133.25 129.89 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 63.44 109.594 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.5 tt -107.18 133.48 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 74.3 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.674 ' CE1' ' CB ' ' A' ' 60' ' ' SER . 13.0 p90 -152.61 129.56 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.12 110.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CD1' HD21 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.9 155.35 32.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.53 110.969 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.528 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 51.5 t0 -129.53 129.66 44.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 75.4 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.6 OUTLIER -81.95 3.76 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.54 109.572 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG2' ' OD1' ' A' ' 53' ' ' ASP . 75.3 t -68.1 -53.47 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.32 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.457 ' CD1' HG13 ' A' ' 55' ' ' VAL . 34.7 m-85 -117.81 8.29 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.2 111.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 58.13 50.6 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 71.41 109.565 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 ' CG1' ' CB ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -147.32 167.47 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 62.23 109.316 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.501 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.2 Cg_endo -74.99 165.92 30.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 73.24 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.674 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 1.3 m -129.63 -179.71 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 75.3 110.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 137' ' ' TYR . 4.3 mt -150.66 134.23 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.22 109.303 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 10.2 ttpt -156.42 116.63 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 74.32 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CD1' HD21 ' A' ' 46' ' ' LEU . 22.6 p90 -135.84 173.84 11.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.25 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.639 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 6.7 mtp180 -140.3 150.33 43.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 73.43 110.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 78.4 mt -91.49 144.62 25.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 75.05 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 87.3 m95 -136.75 149.75 48.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.42 107.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -124.19 97.47 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 72.41 110.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 122.98 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.23 109.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.96 114.04 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 73.53 109.266 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.78 34.66 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.22 110.392 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.63 -36.39 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 75.1 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.8 mt-10 -108.27 -1.57 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 72.04 110.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.46 47.41 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 61.24 109.324 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -116.98 -7.36 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 75.04 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.8 t 80.83 48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 72.43 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.7 176.23 9.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 74.54 109.992 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.508 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.7 163.38 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 74.15 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.56 137.08 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.2 110.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 11.6 tp -55.13 131.23 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.44 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 31.1 mt -96.84 162.57 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 73.45 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -154.79 107.27 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.45 110.413 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -141.33 167.18 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.42 109.293 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -56.54 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 72.43 109.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -45.45 15.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 73.52 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -67.17 -24.27 65.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.33 110.045 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -79.75 -33.55 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 63.44 110.26 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD23 ' CZ ' ' A' ' 111' ' ' TYR . 2.5 tp -84.2 -28.46 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 72.12 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.34 -19.24 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 73.04 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -54.64 -24.76 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.04 109.991 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -115.67 -37.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.41 109.316 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 87' ' ' LEU . 66.2 mt -85.2 -179.82 7.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 73.23 109.314 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.6 m-80 -143.87 97.36 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.44 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -92.53 -58.03 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 64.22 109.312 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.57 -81.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.477 1.111 . . . . 64.14 111.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 6.9 t -113.27 -21.74 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 73.41 110.396 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 140' ' ' ILE . 12.4 m-85 -66.08 -170.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.54 110.997 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.3 m -153.1 170.31 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.42 110.014 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 99' ' ' THR . 2.6 p -153.67 166.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 75.12 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.464 ' N ' ' CG2' ' A' ' 98' ' ' VAL . 1.1 m -135.58 124.32 23.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 74.52 110.408 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 111' ' ' TYR . 13.7 tp -98.45 122.18 41.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.25 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -112.86 128.4 56.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 54.32 109.983 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.3 m -109.59 156.16 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 73.33 110.438 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.44 164.06 13.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 51.45 109.327 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.67 -25.09 59.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 73.33 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.84 -16.01 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 73.12 110.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 59.28 16.91 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 74.31 110.99 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -14.68 17.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.15 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.1 p -128.94 128.65 44.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.52 110.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.45 ' CG2' ' HG ' ' A' ' 100' ' ' LEU . 3.7 p -147.64 151.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.14 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -138.5 161.23 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.44 111.038 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 29.9 m-85 -107.49 80.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 75.21 110.953 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 71.4 m-85 -67.66 99.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 74.24 110.956 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.434 HD13 ' CZ ' ' A' ' 141' ' ' PHE . 5.9 mt -63.08 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 75.41 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 113' ' ' ILE . 4.8 m-80 -64.87 107.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 62.44 109.346 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' THR . 19.6 p-10 -107.08 -17.9 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 74.35 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.5 p -52.22 -28.07 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.15 108.287 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.28 36.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.34 109.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' VAL . 1.1 m -83.0 -63.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.13 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -21.7 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 75.43 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.08 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 75.35 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.458 ' HB3' ' CD2' ' A' ' 136' ' ' LEU . 92.4 m-20 -92.54 -69.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.32 109.275 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.584 ' CG1' ' CE1' ' A' ' 129' ' ' TYR . 66.3 t -56.73 -65.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 74.5 109.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 131.94 -140.45 11.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 71.55 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 t -122.11 -2.22 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 74.13 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.0 89.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 74.31 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.43 -8.19 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.4 109.287 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.52 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 71.01 110.291 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -112.91 47.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 72.34 109.578 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.584 ' CE1' ' CG1' ' A' ' 122' ' ' VAL . 1.0 OUTLIER -78.84 -34.82 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 74.22 110.984 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 7' ' ' TYR . 4.4 mm? -78.97 -20.09 50.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.53 109.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 71.41 110.353 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.464 ' CZ ' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -89.62 -49.73 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 72.23 110.307 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.529 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 82.9 t90 -44.98 -49.27 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 75.45 107.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.584 HD12 ' CE2' ' A' ' 137' ' ' TYR . 6.1 tp -53.37 -53.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.34 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.474 ' OG ' ' CG ' ' A' ' 147' ' ' PRO . 1.7 t -67.92 -1.38 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 63.34 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.471 ' CD2' HG23 ' A' ' 122' ' ' VAL . 2.7 tp -93.44 -54.3 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 75.42 109.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.677 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.1 OUTLIER -82.99 -44.66 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 74.03 110.981 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.615 ' N ' ' CG ' ' A' ' 137' ' ' TYR . 6.4 tp -47.97 -26.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.22 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -61.1 -39.66 90.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.33 110.329 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ASN . 74.4 mt -61.39 -11.93 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 72.53 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.559 ' CZ ' HD13 ' A' ' 48' ' ' LEU . 76.0 m-85 -113.02 -30.28 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 74.42 110.996 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.62 104.5 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 72.32 109.337 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.97 2.98 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.51 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -111.86 -18.25 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 72.12 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.422 ' CB ' ' HB2' ' A' ' 142' ' ' ASP . 68.5 t80 -76.24 111.89 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.41 110.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.51 115.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.42 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.474 ' CG ' ' OG ' ' A' ' 135' ' ' SER . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 72.32 110.969 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 2' ' ' LEU . 9.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.003 -0.369 . . . . 71.33 110.003 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.83 25.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 73.5 110.996 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 14.7 tp -74.71 109.72 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 54.24 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.498 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 61.4 p -76.68 -171.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 71.15 110.398 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -76.03 -45.6 3.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 73.21 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -8.15 19.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 72.14 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -88.17 -39.15 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 64.21 110.336 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -85.96 -36.93 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.54 110.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 t-20 -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 73.3 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.35 -32.21 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 72.14 110.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.5 mp0 -103.57 7.22 37.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 63.53 110.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -55.29 -45.46 99.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.11 109.271 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.0 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 75.13 110.99 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.58 -34.7 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 72.23 109.286 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 23.3 t -75.43 -48.43 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 72.11 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' CB ' HD22 ' A' ' 34' ' ' LEU . 4.5 ptm180 -62.65 -23.88 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.14 110.267 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.3 t -67.16 -60.76 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 73.21 110.028 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' CD1' ' CB ' ' A' ' 147' ' ' PRO . 2.9 pp -62.82 -23.67 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 72.32 109.276 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 1.3 mm? -52.3 -23.3 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 70.22 109.293 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -62.26 -34.76 77.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 73.21 110.446 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 11.0 mmmt -57.89 -17.57 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 75.33 109.339 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.583 ' CH2' ' CG2' ' A' ' 38' ' ' VAL . 1.7 t90 -74.32 106.82 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.01 -1.107 . . . . 75.41 108.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.04 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 72.45 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -72.39 -25.47 61.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 74.43 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG22 ' CD2' ' A' ' 21' ' ' TRP . 11.7 t -71.57 118.74 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 73.34 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -108.29 -23.44 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.52 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -135.76 131.51 35.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 75.12 110.336 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -117.18 118.94 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 75.54 109.348 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -134.5 158.02 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 75.44 110.259 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -121.32 155.43 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 71.54 109.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.1 167.63 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 72.12 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.2 tt0 -61.23 92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 74.53 110.333 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' OD1' ' CD1' ' A' ' 4' ' ' LEU . 6.0 t70 76.09 50.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 71.52 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.12 -165.09 36.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 73.3 110.989 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -158.48 153.31 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 73.54 109.271 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.4 tm0? -137.99 105.48 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 75.25 110.314 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.62 167.52 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 74.34 109.289 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.35 94.94 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 74.2 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.583 ' CG2' ' CH2' ' A' ' 21' ' ' TRP . 26.6 t -91.34 111.53 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 65.1 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -85.8 85.95 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.44 110.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 38' ' ' VAL . 7.5 mp -63.65 -39.08 93.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.04 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -142.71 154.75 44.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.35 109.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -61.6 -14.46 30.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 75.43 110.393 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -123.82 11.32 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 64.04 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.1 m -134.01 146.49 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 73.12 110.36 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -133.0 136.63 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 75.12 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 1.3 tm? -114.99 99.07 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 74.12 109.282 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 2.1 tt0 -82.45 109.42 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.4 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -98.05 131.68 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 70.53 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.409 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 2.1 m170 -128.29 120.52 27.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 75.02 109.583 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 2.7 tt -104.43 125.38 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 73.24 109.336 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 43.5 p90 -144.17 138.7 28.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 72.44 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CD1' HD22 ' A' ' 4' ' ' LEU . 1.2 t80 -85.48 155.21 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 72.14 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t0 -127.87 130.09 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 75.34 109.277 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' CD2' ' H ' ' A' ' 54' ' ' HIS . 1.0 OUTLIER -84.23 3.5 35.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 73.23 109.599 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 67.0 t -72.16 -50.67 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 75.03 109.359 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -115.91 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.12 110.985 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 57.86 56.63 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 75.22 109.647 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.09 164.91 19.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 74.12 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.94 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 72.43 110.998 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 10.9 m -122.3 177.42 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 73.55 110.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 HD12 ' CG ' ' A' ' 137' ' ' TYR . 2.9 mt -139.21 136.33 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 75.15 109.306 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 11.9 ttpt -155.61 116.46 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 73.45 109.327 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 23.3 p90 -135.38 170.48 15.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 72.31 111.014 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.575 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 5.5 mtm180 -150.64 113.0 4.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 75.24 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 65' ' ' LEU . 8.8 mp -66.48 145.34 55.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 63.01 109.316 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 83.2 m95 -133.15 151.68 51.97 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 72.3 108.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.453 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 1.3 t -119.09 97.83 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 75.24 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.61 123.84 21.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 74.14 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -118.21 113.47 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 70.43 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.66 33.85 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.33 110.433 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.48 -36.37 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 62.34 110.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.405 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 1.7 mt-10 -108.33 -1.65 19.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.44 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.76 47.54 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 73.21 109.318 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -115.96 -8.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 75.3 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.52 45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 62.42 110.02 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.99 178.97 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 72.41 110.017 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 pp -174.13 160.36 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 72.14 109.262 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -155.0 130.04 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 74.34 110.324 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 66' ' ' TRP . 17.4 tp -49.14 136.21 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.35 109.269 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 42.6 mt -99.64 115.43 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 75.02 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.5 m -118.34 93.14 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.03 110.407 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -124.17 167.03 14.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 75.0 109.305 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 171.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 61.25 109.979 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -63.8 -38.91 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 65.42 109.3 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -50.2 -42.42 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 72.55 110.008 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 3.4 mt-10 -79.62 -45.15 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.23 110.26 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 111' ' ' TYR . 2.9 tm? -58.66 -22.67 57.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 75.24 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -86.02 -21.87 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 74.35 110.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -58.57 -16.18 14.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.23 110.004 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.74 -44.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.35 109.272 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt -78.17 173.21 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 74.04 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' CG ' ' CD1' ' A' ' 143' ' ' LEU . 71.3 m-80 -133.6 100.52 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.32 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.615 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.75 -57.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.14 109.28 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.01 -85.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 75.52 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -122.81 4.45 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.4 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.22 -171.78 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 75.1 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -145.36 162.76 36.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 72.53 109.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.91 172.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 70.32 109.306 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -150.33 111.29 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.31 110.359 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.54 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 7.9 tt -89.43 121.52 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 75.44 109.255 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -127.62 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 71.5 109.982 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.434 HG23 ' CG1' ' A' ' 109' ' ' VAL . 2.2 p -128.27 153.99 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 71.1 110.444 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.34 167.72 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 71.13 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 37.4 tpp -57.08 -29.62 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.21 111.051 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.52 -18.74 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 72.31 110.328 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.2 mtp 52.21 24.15 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 72.11 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -15.65 16.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 75.24 109.325 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -129.18 157.98 40.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 72.43 110.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.54 ' CG1' ' CD2' ' A' ' 100' ' ' LEU . 3.2 t -144.16 153.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.12 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -140.97 167.65 21.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.32 110.973 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 30.0 m-85 -122.88 78.58 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 73.21 110.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 48.5 m-85 -65.84 105.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 75.24 111.011 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 61' ' ' ILE . 5.6 mt -70.66 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.33 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' N ' HG22 ' A' ' 113' ' ' ILE . 2.6 m-80 -66.72 111.03 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.44 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 115' ' ' ASN . 8.5 p-10 -140.63 45.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 74.21 109.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.0 p -89.4 -46.27 8.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 73.14 108.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -108.69 76.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.4 109.311 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 122' ' ' VAL . 1.1 m -83.18 -57.37 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.34 110.359 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.409 ' HB2' ' N ' ' A' ' 0' ' ' SER . 24.5 t0 -50.43 -26.54 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 62.13 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.89 -28.27 21.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 71.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' THR . 59.5 m-20 -86.7 -70.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 73.01 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 136' ' ' LEU . 37.5 t -60.28 -66.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 75.33 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.0 -33.13 4.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 73.44 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 33.1 t -36.8 141.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 64.11 109.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -59.79 176.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 71.31 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.3 t -82.96 -8.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.54 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -54.79 -67.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 74.32 110.311 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.44 ' CB ' ' OG1' ' A' ' 131' ' ' THR . 0.0 OUTLIER -123.72 47.43 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 72.02 109.603 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 124' ' ' SER . 3.4 t80 -67.77 -36.25 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 64.43 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 10' ' ' GLN . 2.4 mm? -68.02 -26.04 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 75.21 109.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.44 ' OG1' ' CB ' ' A' ' 128' ' ' HIS . 16.9 p -90.56 -30.51 17.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 75.51 110.413 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -16.28 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 65.31 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 79.6 t90 -88.26 -42.02 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 72.54 108.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.578 HD12 ' CE2' ' A' ' 137' ' ' TYR . 7.0 tp -58.23 -50.0 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.3 109.294 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.476 ' CB ' ' HD2' ' A' ' 147' ' ' PRO . 45.1 t -74.06 -0.01 15.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 75.4 110.007 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.476 ' CD1' HG22 ' A' ' 122' ' ' VAL . 2.9 tt -98.22 -43.79 6.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 64.31 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.702 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -89.66 -40.09 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.51 111.006 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.539 ' CG2' ' O ' ' A' ' 134' ' ' ILE . 6.3 tp -56.95 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 75.23 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.6 mtp180 -64.58 -11.06 30.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 74.13 110.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 24.0 mt -88.57 -10.89 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.33 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.43 ' CE2' ' HE1' ' A' ' 137' ' ' TYR . 96.9 m-85 -115.85 -28.08 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.35 111.017 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.568 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -147.99 117.93 7.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 64.11 109.266 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.404 ' CD1' ' CG ' ' A' ' 92' ' ' ASN . 8.4 mt -98.53 3.07 48.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 55.4 109.324 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.404 HD21 ' N ' ' A' ' 144' ' ' ASN . 2.2 m-80 -106.06 -18.16 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.33 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.9 t80 -101.22 102.31 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 72.44 110.99 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.94 93.62 30.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 72.42 109.312 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 135' ' ' SER . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 73.04 110.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.474 ' CB ' ' CG1' ' A' ' 58' ' ' VAL . 2.4 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.0 -0.37 . . . . 53.43 110.0 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptm -89.43 -13.99 36.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 64.41 110.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 7' ' ' TYR . 16.3 tp -50.81 110.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 74.23 109.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.494 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 60.7 p -77.51 -171.42 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 73.32 110.443 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -75.75 -45.66 4.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 74.12 109.326 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 71.42 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 2' ' ' LEU . 26.3 mt-10 -88.51 -39.72 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 75.22 110.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -86.23 -36.68 19.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.43 111.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.587 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 15.6 t-20 -63.92 -18.34 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.44 109.313 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -72.91 -24.6 60.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.34 110.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 21.3 mt-30 -111.49 12.04 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 75.33 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -58.81 -46.16 99.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.11 109.338 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.91 0.11 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 73.12 111.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 3.1 m-20 -94.02 -33.6 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 72.25 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 130' ' ' LEU . 97.7 t -77.89 -39.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.15 109.268 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 ptt85 -66.39 -31.28 71.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 74.41 110.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 19' ' ' THR . 22.7 t -62.59 -60.85 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 74.54 110.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' CD1' ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -59.16 -23.57 62.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 73.53 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -58.58 -21.14 52.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 62.34 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 16' ' ' SER . 60.9 p -68.4 -7.59 32.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 73.43 110.391 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 44.4 mttp -86.79 -29.77 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 75.14 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.664 ' HE1' ' NZ ' ' A' ' 23' ' ' LYS . 1.6 t90 -59.17 108.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 75.25 108.039 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 74.4 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.664 ' NZ ' ' HE1' ' A' ' 21' ' ' TRP . 3.6 mtmm -76.94 -26.25 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.13 109.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.529 HG21 ' CE3' ' A' ' 21' ' ' TRP . 15.6 t -70.91 124.63 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 73.23 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -113.17 -19.96 11.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 75.3 110.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.4 110.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -128.04 104.77 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 61.54 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 23.0 tt0 -132.35 156.02 47.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 74.45 110.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 2.2 p-10 -120.66 163.69 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.33 109.287 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG22 ' CA ' ' A' ' 34' ' ' LEU . 2.6 m -134.77 168.68 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.15 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.7 OUTLIER -65.49 93.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 73.41 110.317 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 78.74 52.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 74.23 109.276 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.78 -159.19 31.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 72.32 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -156.38 160.47 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 74.41 109.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' A' ' 28' ' ' GLN . 2.3 tm0? -146.56 106.86 4.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 73.42 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -105.45 163.52 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 71.21 109.277 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.47 95.17 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 73.24 109.289 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG23 ' CH2' ' A' ' 21' ' ' TRP . 18.6 t -84.01 146.31 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 72.35 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -111.33 85.09 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 71.22 110.319 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 28.4 mt -63.93 -51.48 64.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.54 109.321 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.4 ttmt -135.23 156.57 48.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 75.12 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -59.93 -15.96 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 74.04 110.397 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' LEU . 32.4 m-20 -123.99 17.48 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 51.2 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 66' ' ' TRP . 91.6 m -139.0 151.21 46.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.21 110.4 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -135.23 136.76 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 75.21 109.288 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.546 HD22 ' CD2' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -115.39 99.56 7.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 75.24 109.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -87.27 108.8 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.41 110.266 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.666 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 0.6 OUTLIER -95.66 139.14 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 70.21 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.412 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -134.5 112.12 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.13 109.633 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.3 tt -89.41 136.63 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 72.31 109.261 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.0 p90 -151.5 129.44 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.23 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.542 ' CD1' HD21 ' A' ' 4' ' ' LEU . 11.6 t80 -79.01 133.08 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 75.13 111.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -102.31 119.71 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.11 109.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.508 ' CE1' HD21 ' A' ' 4' ' ' LEU . 1.2 m-70 -81.12 3.6 22.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 71.22 109.6 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.698 ' CG1' ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -82.65 -36.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 75.04 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.698 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 28.0 m-85 -116.17 -7.55 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.53 110.979 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 65.04 49.1 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.52 109.61 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.474 ' CG1' ' CB ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -157.38 163.68 24.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 75.14 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.449 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.99 150.35 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 71.11 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 33.5 t -123.96 176.58 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 74.33 109.999 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.609 ' CD1' ' CG ' ' A' ' 137' ' ' TYR . 9.2 mt -137.18 141.18 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 73.4 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 13.4 ttpt -155.66 117.11 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 72.25 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.546 ' CD2' HD22 ' A' ' 46' ' ' LEU . 38.7 p90 -136.13 164.6 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 64.32 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -137.28 134.18 35.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 74.44 110.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 83.2 mt -72.41 148.27 45.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 75.24 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.535 ' CE3' ' N ' ' A' ' 79' ' ' LEU . 94.6 m95 -139.95 160.06 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.02 108.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.81 97.9 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 75.53 109.971 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.33 124.61 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 75.33 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.61 113.28 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 74.22 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.28 30.16 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 73.3 110.409 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -42.22 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 72.23 110.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.2 mt-10 -104.09 -15.5 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.22 110.335 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 5.8 t0 81.15 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 60.02 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -114.4 -9.89 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 75.52 109.291 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.5 t 84.04 41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 71.33 109.994 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.415 ' HB2' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -75.34 176.33 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 62.31 110.007 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.492 HD13 ' CE3' ' A' ' 66' ' ' TRP . 3.6 pp -168.38 162.98 12.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 75.03 109.343 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 67' ' ' SER . 7.0 tpt180 -155.41 131.41 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 73.54 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.535 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 17.4 tp -50.23 132.36 24.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 65.21 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 67' ' ' SER . 29.3 mt -99.51 162.63 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.42 109.338 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 80' ' ' LEU . 2.4 p -156.67 111.47 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.04 110.416 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -142.0 167.0 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.44 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -55.62 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 75.13 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.94 -41.25 21.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 72.33 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -64.67 -36.57 84.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 75.52 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -75.13 -29.75 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.23 110.311 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' CE1' ' A' ' 111' ' ' TYR . 2.2 tp -82.73 -27.36 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.54 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -7.2 33.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 75.51 110.286 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 t -67.05 -25.26 66.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 75.04 110.028 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.496 ' CD1' ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.16 -37.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.13 109.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 87' ' ' LEU . 92.6 mt -85.37 -179.66 7.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 74.35 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -143.95 97.24 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 75.01 109.312 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.63 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.29 -58.2 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.55 109.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.62 -81.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 62.4 111.013 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.8 t -113.52 -21.41 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 73.23 110.43 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -65.03 -171.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 65.54 110.954 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.8 m -148.26 171.99 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 74.32 110.003 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.4 p -153.67 170.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.43 109.306 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 112' ' ' TYR . 1.4 m -138.03 114.78 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.54 110.408 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 111' ' ' TYR . 1.6 tp -93.99 120.85 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.22 109.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.407 ' N ' HD11 ' A' ' 100' ' ' LEU . 5.9 t -118.91 138.31 52.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 53.53 110.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.458 ' CG2' HG21 ' A' ' 109' ' ' VAL . 8.4 m -146.43 151.92 38.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 75.01 110.418 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -99.02 160.95 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 74.21 109.244 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpp -53.07 -36.58 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 75.35 111.021 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -28.41 55.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 73.1 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.6 mmm 62.09 23.47 13.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 70.21 110.985 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 108' ' ' SER . 0.0 OUTLIER -104.21 -34.74 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.35 109.298 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 107' ' ' LYS . 89.9 p -110.23 134.7 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 71.42 110.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 100' ' ' LEU . 60.7 t -149.42 152.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.52 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -148.65 160.2 43.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 72.53 110.963 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.557 ' CE1' HD22 ' A' ' 87' ' ' LEU . 32.8 m-85 -119.66 80.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.14 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 89.7 m-85 -68.41 109.02 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.23 110.947 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.494 HD13 ' CZ ' ' A' ' 141' ' ' PHE . 6.4 mt -75.73 142.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 71.44 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.22 112.92 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 73.14 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 20.9 t30 -119.57 8.58 11.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 74.41 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.0 p -70.15 -29.73 66.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 71.32 108.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.67 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 70.51 109.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m -83.21 -62.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 75.04 110.423 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.82 -21.5 63.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.04 109.275 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.98 31.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.32 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -93.73 -69.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 75.54 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.493 ' CG1' ' CE1' ' A' ' 129' ' ' TYR . 3.3 t -76.02 -65.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 74.35 109.326 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.14 -116.79 5.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 75.32 111.041 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.609 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.9 p -86.22 -99.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 74.42 109.998 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 124' ' ' SER . 2.3 m-20 34.79 53.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 75.21 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.76 -8.49 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.05 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -67.63 -66.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.34 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 47.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 74.5 109.597 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 124' ' ' SER . 5.2 t80 -74.03 -41.14 62.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.44 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.0 mm? -67.68 -27.73 67.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 64.42 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.6 p -88.07 -34.89 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 75.11 110.383 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.8 tpt85 -84.72 -17.12 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 74.42 110.318 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.515 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 81.8 t90 -84.36 -45.39 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.972 -1.122 . . . . 74.12 107.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.618 HD12 ' CE2' ' A' ' 137' ' ' TYR . 8.0 tp -56.68 -53.78 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 74.21 109.352 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.484 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 37.6 t -71.31 1.47 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.11 109.979 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.74 -45.88 6.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.21 109.312 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.671 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.1 OUTLIER -94.26 -42.95 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.52 110.995 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.659 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 5.9 tp -48.36 -24.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.2 109.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 135' ' ' SER . 46.4 mtp85 -59.73 -39.26 84.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 75.54 110.297 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.51 -11.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 75.22 109.287 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.666 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 82.0 m-85 -112.59 -31.76 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 71.24 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 145' ' ' PHE . 17.7 t0 -148.51 106.97 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 43.33 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mt -90.06 3.18 54.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 75.34 109.257 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.62 -18.74 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 62.1 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 3.3 t80 -102.92 109.39 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.44 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.87 92.0 37.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 74.41 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 145' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 74.24 111.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.435 0.16 . . . . 75.200000000000003 110.979 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.748 HD13 HG13 ' A' ' 126' ' ' VAL . 13.8 tp -50.59 106.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 70.439999999999998 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 70.0 p -74.96 -171.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 51.109999999999999 110.386 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.54 -45.32 3.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 71.140000000000001 109.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -12.74 21.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 74.219999999999999 111.041 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.433 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.1 mm-40 -88.57 -33.09 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.329999999999998 110.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.657 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.68 -24.95 22.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 75.349999999999994 110.982 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -76.47 -16.65 59.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 52.409999999999997 109.319 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 70.230000000000004 110.25 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 15.7 mt-30 -114.04 15.44 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.325 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -60.97 -48.38 92.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 55.530000000000001 109.273 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 71.299999999999997 111.007 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.3 m-20 -92.4 -34.15 14.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 130' ' ' LEU . 24.7 t -69.6 -49.4 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 75.200000000000003 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 19' ' ' THR . 6.2 ptm180 -65.88 -34.41 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -54.49 -43.81 72.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 110.001 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.9 pp -85.19 -32.28 22.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 71.430000000000007 109.312 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.841 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.5 tp -55.9 -26.77 48.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 65.129999999999995 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.908 HG23 ' O ' ' A' ' 15' ' ' ARG . 72.3 p -55.36 -27.91 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 110.403 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 30.5 mttm -58.41 -30.4 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.855 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -50.91 130.02 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 60.520000000000003 107.995 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.83 -15.51 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' HB2' HG13 ' A' ' 38' ' ' VAL . 3.4 mtmm -85.33 -26.54 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 52.020000000000003 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 10.7 t -63.81 117.16 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 62.439999999999998 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 29.4 tt0 -107.68 -26.84 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 64.329999999999998 110.328 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -124.88 144.89 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.120000000000005 110.342 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 HD23 ' A' ' 36' ' ' LEU . 2.1 mm -130.85 103.85 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 61.520000000000003 109.245 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' HD23 ' A' ' 34' ' ' LEU . 31.9 tt0 -131.28 135.6 47.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 62.130000000000003 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 34' ' ' LEU . 7.4 t70 -101.19 161.06 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 64.140000000000001 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.8 m -135.02 168.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.04 32.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 72.310000000000002 110.275 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -168.35 32.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 64.349999999999994 109.289 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' HD11 ' A' ' 11' ' ' ILE . . . 136.75 -119.02 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 63.539999999999999 110.952 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -165.71 153.94 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 0.811 . . . . 73.310000000000002 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -134.59 106.18 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 70.519999999999996 110.333 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.707 ' CD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.99 165.02 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 73.25 109.315 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.827 ' OD1' HD21 ' A' ' 45' ' ' LEU . 2.8 t0 -119.48 96.01 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.120000000000005 109.276 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.855 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 15.7 t -86.49 126.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 73.430000000000007 109.253 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 8.4 tpp180 -94.99 89.2 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 61.200000000000003 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' ' 46' ' ' LEU . 9.3 mp -68.46 -32.58 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.5 ttmm -149.28 156.47 42.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.219999999999999 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.37 -19.36 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 64.040000000000006 110.411 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.65 15.19 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.530000000000001 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.452 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 5.7 m -135.92 123.62 22.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.319999999999993 110.439 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.827 HD21 ' OD1' ' A' ' 37' ' ' ASP . 1.3 tm? -121.12 134.92 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 61.109999999999999 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.826 HD21 ' CD1' ' A' ' 63' ' ' PHE . 3.4 tm? -117.7 105.25 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 62.140000000000001 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.8 tp10 -78.79 102.31 8.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 74.140000000000001 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.7 tm? -81.16 121.04 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.539 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.8 m170 -121.14 116.33 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 74.040000000000006 109.595 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.8 tt -100.7 137.34 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 54.43 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 6.3 p90 -151.25 142.32 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 75.329999999999998 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 33.9 t80 -83.41 150.93 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 71.099999999999994 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.55 ' OD2' HG23 ' A' ' 55' ' ' VAL . 36.9 t0 -130.21 114.68 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 51.100000000000001 109.33 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.439 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 3.5 m-70 -73.63 -4.45 34.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.586 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG23 ' OD2' ' A' ' 53' ' ' ASP . 75.9 t -60.88 -45.14 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 74.400000000000006 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.498 ' CD1' HG12 ' A' ' 55' ' ' VAL . 43.6 m-85 -119.14 0.96 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.310000000000002 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 64.89 44.04 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 51.409999999999997 109.581 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 HG22 ' A' ' 118' ' ' THR . 0.0 OUTLIER -148.66 165.19 18.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 75.329999999999998 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 18.2 Cg_endo -75.03 159.61 41.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 72.409999999999997 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.636 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 18.5 m -124.96 176.23 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 54.420000000000002 109.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.69 HG21 HD12 ' A' ' 113' ' ' ILE . 7.0 mt -138.56 129.2 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 65.010000000000005 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 8.3 ttpt -147.34 117.06 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 65.310000000000002 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.826 ' CD1' HD21 ' A' ' 46' ' ' LEU . 7.5 p90 -130.78 165.4 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.579 ' HB3' HD11 ' A' ' 79' ' ' LEU . 8.6 mtp180 -139.0 137.01 35.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.944 ' O ' HD12 ' A' ' 79' ' ' LEU . 35.9 mt -82.25 142.31 32.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 96.0 m95 -130.32 160.41 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 64.450000000000003 107.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.82 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -130.68 97.46 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 75.450000000000003 110.017 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.77 125.44 26.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 72.109999999999999 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -123.01 112.58 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.14 34.32 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 73.209999999999994 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.74 -44.49 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 110.312 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -103.24 -12.86 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER 81.69 53.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.310000000000002 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.821 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -6.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 55.229999999999997 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.9 t 74.78 44.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.420000000000002 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.821 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -84.81 176.47 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.200000000000003 110.021 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -165.94 166.14 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 73.010000000000005 109.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -155.48 134.54 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 75.150000000000006 110.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.944 HD12 ' O ' ' A' ' 65' ' ' LEU . 33.2 tp -55.14 141.88 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 70.049999999999997 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 67' ' ' SER . 95.0 mt -111.01 162.39 14.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.2 p -154.95 120.31 5.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 110.461 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -144.56 167.08 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 73.109999999999999 109.257 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -69.05 -175.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 61.240000000000002 109.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -67.62 -54.97 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 65.430000000000007 109.324 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -50.11 -37.69 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.981 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.439 ' HB3' HD12 ' A' ' 82' ' ' LEU . 7.9 mt-10 -81.11 -32.24 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 74.409999999999997 110.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.059 HD21 HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -75.76 -17.69 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.329999999999998 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -86.05 -17.65 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 62.299999999999997 110.285 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -57.59 -17.2 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.5 110.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.522 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.72 -48.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 64.140000000000001 109.281 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.059 HD12 HD21 ' A' ' 87' ' ' LEU . 19.9 mt -79.44 166.73 21.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 62.509999999999998 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.846 ' CG ' HD12 ' A' ' 143' ' ' LEU . 65.5 m-80 -124.56 103.33 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.420000000000002 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -92.88 -58.13 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 70.140000000000001 109.272 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.87 -88.14 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 45.219999999999999 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.2 t -120.21 -5.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 73.329999999999998 110.417 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.27 -170.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.2 m -146.73 147.27 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.140000000000001 110.012 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 p -140.64 158.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 m -133.81 108.12 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.230000000000004 110.385 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.971 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.2 tt -99.44 123.39 43.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 71.349999999999994 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.502 ' N ' HD23 ' A' ' 100' ' ' LEU . 11.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 33.509999999999998 110.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.026 -0.361 . . . . 73.420000000000002 110.026 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.773 HG21 HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -149.54 163.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 72.120000000000005 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -141.51 157.84 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.099999999999994 111.017 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.971 ' CE1' HD12 ' A' ' 100' ' ' LEU . 22.6 m-85 -111.04 79.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 75.450000000000003 111.035 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 76.5 m-85 -70.78 104.15 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 61.009999999999998 110.978 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 61' ' ' ILE . 6.0 mt -70.46 139.13 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -60.02 111.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 54.219999999999999 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -139.09 47.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 61.100000000000001 109.287 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 20.3 p -88.63 -46.03 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 108.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.43 ' CG ' ' HB2' ' A' ' 120' ' ' ALA . 19.6 t0 -112.22 76.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 54.030000000000001 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.643 HG22 HG11 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -83.08 -50.24 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.549999999999997 110.402 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' N ' ' CG2' ' A' ' 118' ' ' THR . 2.7 p30 -49.4 -26.11 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 74.109999999999999 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.43 ' HB2' ' CG ' ' A' ' 117' ' ' ASP . . . -67.55 -39.96 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.310000000000002 109.302 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HB3' HD11 ' A' ' 136' ' ' LEU . 72.9 m-20 -94.57 -64.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.310000000000002 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.852 HG11 ' CE1' ' A' ' 129' ' ' TYR . 14.2 t -52.4 -65.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 71.319999999999993 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' ASP . . . 132.49 -153.34 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 126' ' ' VAL . 9.5 m -113.58 -15.37 12.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 60.009999999999998 110.014 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.57 92.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.338 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.748 HG13 HD13 ' A' ' 2' ' ' LEU . 17.1 t -73.74 -8.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 72.319999999999993 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 16.5 mt-10 -68.5 -67.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 72.239999999999995 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.65 46.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.6 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.852 ' CE1' HG11 ' A' ' 122' ' ' VAL . 1.2 t80 -79.73 -49.02 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 64.450000000000003 110.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.834 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.5 mm? -59.25 -26.36 64.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.29 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -88.42 -51.93 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 64.319999999999993 110.431 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 4.4 tpt180 -65.71 -17.22 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 72.239999999999995 110.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.619 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 67.7 t90 -83.95 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 75.109999999999999 107.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.834 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.2 tp -53.92 -56.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.329 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.48 ' N ' HG23 ' A' ' 134' ' ' ILE . 32.7 t -55.18 -17.6 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 110.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.5 ' C ' HD23 ' A' ' 136' ' ' LEU . 1.9 tt -92.92 -32.63 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 71.099999999999994 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 11.9 m-85 -94.75 -2.28 51.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 134' ' ' ILE . 3.9 tp -86.36 -19.8 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.239999999999995 109.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -67.88 -7.99 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 110.34 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 92' ' ' ASN . 21.8 mt -93.79 -10.61 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 64.400000000000006 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.647 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.6 m-85 -111.51 -39.9 4.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 73.319999999999993 110.969 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.93 116.17 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 74.430000000000007 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.846 HD12 ' CG ' ' A' ' 92' ' ' ASN . 1.1 mt -90.98 3.1 55.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 109.326 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -102.61 -11.89 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 51.229999999999997 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.5 t80 -111.32 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 74.140000000000001 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.93 95.24 37.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.549999999999997 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.769 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 71.549999999999997 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 73.530000000000001 111.028 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.797 HD13 HG13 ' A' ' 126' ' ' VAL . 22.2 tp -74.83 111.41 10.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 74.540000000000006 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.487 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.2 p -76.54 -171.62 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 61.200000000000003 110.409 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -76.29 -45.65 3.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 60.219999999999999 109.289 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -9.96 21.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 51.229999999999997 111.018 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.671 ' HB3' HD12 ' A' ' 2' ' ' LEU . 3.7 mm-40 -88.33 -35.62 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 72.329999999999998 110.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.731 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.67 -32.29 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 111.017 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -69.03 -16.3 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 63.25 109.298 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -73.37 -23.93 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 55.109999999999999 110.253 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -111.13 12.74 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 71.310000000000002 110.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -56.91 -47.49 98.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 72.510000000000005 109.322 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -74.99 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.481 1.779 . . . . 73.230000000000004 111.028 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.86 -35.22 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.349999999999994 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 130' ' ' LEU . 31.0 t -67.43 -47.46 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 71.230000000000004 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.899 ' O ' HG23 ' A' ' 19' ' ' THR . 21.8 ptt85 -66.93 -35.0 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 110.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -53.33 -43.7 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 53.520000000000003 110.017 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.856 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -84.99 -32.0 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.797 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.5 tp -56.54 -23.37 39.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 52.43 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 15' ' ' ARG . 72.5 p -60.52 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 71.540000000000006 110.411 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 1.3 mmmp? -58.68 -30.72 67.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 62.409999999999997 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 1.047 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.1 t90 -48.86 118.75 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.005 -1.109 . . . . 73.439999999999998 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.09 -14.07 45.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 65.340000000000003 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.758 ' HB2' HG13 ' A' ' 38' ' ' VAL . 1.7 mtmm -85.99 -26.31 25.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 41.109999999999999 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' CD2' ' A' ' 21' ' ' TRP . 4.1 t -61.55 141.86 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -118.79 -37.21 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 63.420000000000002 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -132.97 133.91 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 72.150000000000006 110.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -113.38 117.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.150000000000006 109.276 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.714 ' O ' HD23 ' A' ' 34' ' ' LEU . 55.6 tt0 -138.75 145.12 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 110.275 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.45 160.86 15.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 72.030000000000001 109.289 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' C ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -137.04 174.99 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.409999999999997 109.272 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -62.55 92.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.82 48.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 72.510000000000005 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.497 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 177.93 -170.4 42.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 62.329999999999998 111.0 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -157.65 140.84 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 52.549999999999997 109.302 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.81 ' C ' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -126.69 105.3 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 71.439999999999998 110.324 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.96 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.49 171.04 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 73.230000000000004 109.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.94 94.57 4.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 53.409999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.047 HG21 ' CH2' ' A' ' 21' ' ' TRP . 29.7 t -90.42 131.2 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.549999999999997 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.445 ' NH1' HD13 ' A' ' 68' ' ' LEU . 5.9 tpp180 -105.01 90.99 3.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 74.120000000000005 110.34 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.63 HD12 HG12 ' A' ' 38' ' ' VAL . 8.3 mp -69.38 -36.3 76.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 71.099999999999994 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.0 ttmt -140.51 156.52 46.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 64.340000000000003 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -60.45 -14.64 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 110.382 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -129.02 19.8 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 61.130000000000003 109.269 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 24.8 m -135.5 148.44 49.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 73.540000000000006 110.427 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 38' ' ' VAL . 1.5 tm? -141.48 129.45 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 70.340000000000003 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.721 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.3 tm? -115.68 96.28 5.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.439999999999998 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -74.62 122.09 22.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.37 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.7 tm? -105.16 125.33 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.150000000000006 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.542 ' N ' HD13 ' A' ' 48' ' ' LEU . 6.7 m170 -121.95 124.04 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 74.209999999999994 109.596 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.1 tt -102.14 126.22 56.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.230000000000004 109.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 20.4 p90 -143.77 150.01 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 111.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.653 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -105.7 151.37 24.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.973 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' CD2' ' A' ' 56' ' ' TYR . 57.9 t0 -111.33 133.84 53.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 44.130000000000003 109.27 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -88.18 3.41 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 73.030000000000001 109.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -104.81 -17.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.703 ' O ' HG22 ' A' ' 58' ' ' VAL . 18.9 m-30 -116.55 -13.65 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 75.319999999999993 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' O ' HG13 ' A' ' 58' ' ' VAL . 34.4 m-70 57.51 37.81 27.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 70.25 109.625 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -156.8 162.03 28.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 74.099999999999994 109.281 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 118' ' ' THR . 18.3 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 61.310000000000002 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.573 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -138.12 -174.21 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 73.349999999999994 110.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.574 HG13 ' CD1' ' A' ' 137' ' ' TYR . 1.6 mm -138.32 138.6 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 74.340000000000003 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.538 ' HZ3' ' HD1' ' A' ' 110' ' ' TYR . 10.1 tttp -155.43 130.57 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.25 109.266 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 22.7 p90 -148.51 173.89 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 61.340000000000003 111.012 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.835 ' HB3' HD11 ' A' ' 79' ' ' LEU . 19.2 mtm180 -147.25 134.14 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 70.530000000000001 110.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 79' ' ' LEU . 77.3 mt -76.44 144.38 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 74.200000000000003 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.726 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 80.4 m95 -138.72 152.98 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 74.319999999999993 108.039 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.87 ' HB2' HD11 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -129.15 97.7 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 73.530000000000001 109.982 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.445 HD13 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.8 124.97 22.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 72.25 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.19 113.65 22.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.049999999999997 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.7 36.61 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.91 -40.32 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.120000000000005 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.615 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.9 mt-10 -106.95 -3.12 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 110.248 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 66.86 50.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.450000000000003 109.286 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.74 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.86 -8.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 71.140000000000001 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.6 t 79.11 44.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 33.340000000000003 110.04 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.74 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.68 177.29 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.439999999999998 109.979 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -169.16 165.71 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 74.5 109.313 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -155.15 145.42 21.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 63.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.88 HD12 ' O ' ' A' ' 65' ' ' LEU . 21.6 tp -66.24 130.6 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 61.439999999999998 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.87 HD11 ' HB2' ' A' ' 67' ' ' SER . 30.2 mt -95.24 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 93.96 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.120000000000005 110.407 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -126.47 167.0 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 109.267 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 t -71.94 -168.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 34.520000000000003 109.972 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -72.77 -54.85 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 73.439999999999998 109.294 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.7 m -39.23 -30.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 65.400000000000006 110.045 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.844 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.9 mt-10 -87.01 -47.89 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 50.219999999999999 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.666 ' CD1' HD11 ' A' ' 65' ' ' LEU . 50.5 tp -54.89 -58.53 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 51.409999999999997 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -29.48 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 110.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.0 t -45.15 -28.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 63.020000000000003 110.034 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.69 -41.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 64.109999999999999 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 7.8 mt -75.32 165.15 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.310000000000002 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.807 ' O ' HG23 ' A' ' 140' ' ' ILE . 67.9 m-80 -126.78 103.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 64.430000000000007 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.59 -58.01 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 53.439999999999998 109.306 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.16 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 62.450000000000003 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.9 t -113.65 -18.67 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 71.439999999999998 110.359 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 140' ' ' ILE . 3.0 m-85 -74.03 -173.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 64.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.4 m -143.99 -175.76 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 62.43 109.967 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.754 HG23 HG12 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -150.14 169.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 53.119999999999997 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' TYR . 2.2 m -149.01 105.78 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 110.394 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.882 HD21 ' CG1' ' A' ' 109' ' ' VAL . 3.0 tt -94.45 128.48 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.353 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.679 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 64.420000000000002 110.024 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.008 -0.368 . . . . 70.150000000000006 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.882 ' CG1' HD21 ' A' ' 100' ' ' LEU . 16.2 t -145.66 155.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 73.420000000000002 109.239 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.538 ' HD1' ' HZ3' ' A' ' 62' ' ' LYS . 5.1 m-85 -146.5 151.87 38.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 75.430000000000007 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.825 ' CE1' HD12 ' A' ' 100' ' ' LEU . 12.4 m-85 -117.88 74.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 54.32 111.026 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 83.3 m-85 -64.02 113.89 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 71.150000000000006 111.019 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.754 HG12 HG23 ' A' ' 98' ' ' VAL . 2.4 mt -82.66 127.7 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 65.409999999999997 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 113' ' ' ILE . 3.4 m120 -40.02 117.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 64.219999999999999 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 60' ' ' SER . 7.7 p-10 -136.73 12.4 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 74.109999999999999 109.253 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -60.16 -47.59 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 108.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.551 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -92.72 57.62 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.585 HG21 ' HB ' ' A' ' 58' ' ' VAL . 1.8 m -71.68 -45.57 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.5 110.403 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.32 -28.37 69.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 73.209999999999994 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.59 -11.7 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 55.119999999999997 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -85.38 -63.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.430000000000007 109.319 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.581 HG22 HD13 ' A' ' 136' ' ' LEU . 2.8 t -93.89 -65.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 37.19 32.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 71.099999999999994 111.003 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 122' ' ' VAL . 94.8 p -82.85 -75.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 73.239999999999995 110.017 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.417 ' N ' ' OG ' ' A' ' 124' ' ' SER . 19.0 m-20 -157.13 135.97 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 63.32 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.797 HG13 HD13 ' A' ' 2' ' ' LEU . 20.8 t -63.09 -13.8 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 71.120000000000005 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.91 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.5 110.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.4 46.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 72.230000000000004 109.604 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.417 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 3.4 t80 -78.62 -42.16 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.430000000000007 111.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.82 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.4 mm? -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.1 p -90.03 -50.74 5.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 75.329999999999998 110.383 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 12.2 ttt180 -66.11 -17.05 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.651 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 63.1 t90 -85.81 -62.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 108.058 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.82 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -52.59 -54.43 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 134' ' ' ILE . 47.7 t -56.76 -16.83 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 41.32 109.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.692 ' CD2' ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -92.43 -33.81 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 16.2 m-85 -94.15 -2.44 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.540000000000006 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.2 tp -88.14 -22.6 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 75.209999999999994 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.572 ' NH2' HG11 ' A' ' 146' ' ' VAL . 46.2 mtt-85 -68.5 -7.93 36.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 110.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.807 HG23 ' O ' ' A' ' 92' ' ' ASN . 13.5 mt -90.27 -10.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 73.299999999999997 109.294 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.41 -28.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 64.109999999999999 111.021 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.56 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.07 119.93 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 109.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.67 HD12 ' CG ' ' A' ' 92' ' ' ASN . 5.3 mt -98.68 2.72 47.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 72.129999999999995 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.43 -17.06 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.230000000000004 109.34 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 0.8 OUTLIER -105.87 109.34 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.319999999999993 110.958 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.572 HG11 ' NH2' ' A' ' 139' ' ' ARG . 0.0 OUTLIER -117.82 96.04 48.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 72.120000000000005 109.31 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.856 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 75.439999999999998 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.502 0.192 . . . . 74.450000000000003 110.983 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.047 HD13 HG13 ' A' ' 126' ' ' VAL . 33.3 tp -50.68 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 53.210000000000001 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -54.11 166.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 62.420000000000002 110.392 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -71.36 -44.93 13.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.109999999999999 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -11.57 21.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 75.299999999999997 111.019 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -88.74 -36.03 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 110.334 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.902 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -84.29 -20.25 32.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 111.023 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 17.7 m-20 -79.27 -16.51 56.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 64.219999999999999 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -72.35 -23.87 61.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 74.25 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.8 mt-30 -111.56 15.7 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -62.77 -48.1 86.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 71.219999999999999 110.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.6 m-20 -90.91 -36.6 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 53.310000000000002 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.739 HG13 HG12 ' A' ' 134' ' ' ILE . 24.5 t -66.56 -54.59 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 72.510000000000005 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.934 ' O ' HG23 ' A' ' 19' ' ' THR . 9.8 ptt180 -63.5 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -51.21 -44.07 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 63.329999999999998 109.976 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -87.23 -30.9 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 72.010000000000005 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.832 ' N ' HD12 ' A' ' 17' ' ' LEU . 7.3 tp -57.84 -19.99 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 15' ' ' ARG . 82.2 p -63.79 -11.77 29.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.010000000000005 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -78.51 -26.8 45.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 71.140000000000001 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.787 ' CH2' HG11 ' A' ' 38' ' ' VAL . 4.6 t90 -59.42 134.46 57.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 71.519999999999996 108.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.94 -10.26 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 63.020000000000003 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 18.4 mmmt -81.75 -26.25 34.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 74.310000000000002 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG23 ' CE3' ' A' ' 21' ' ' TRP . 87.1 t -69.38 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 109.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -112.32 -37.57 4.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 64.5 110.287 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -127.13 136.12 51.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 51.219999999999999 110.282 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.532 HD13 HD23 ' A' ' 36' ' ' LEU . 2.3 mm -119.57 106.14 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 73.319999999999993 109.268 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.493 ' O ' HD23 ' A' ' 34' ' ' LEU . 31.9 tt0 -129.67 135.58 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.58 ' HA ' HD23 ' A' ' 34' ' ' LEU . 15.2 p-10 -96.74 164.0 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 65.319999999999993 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.6 m -138.71 168.34 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 63.420000000000002 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.7 37.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 62.039999999999999 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -177.34 36.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 60.439999999999998 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.87 -124.22 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 71.129999999999995 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -162.94 149.33 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 41.229999999999997 109.307 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -130.04 115.26 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 52.509999999999998 110.326 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.794 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -123.9 172.17 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 109.298 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.719 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -131.6 96.69 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.099999999999994 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.929 ' O ' HD22 ' A' ' 45' ' ' LEU . 2.8 t -85.13 148.62 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 73.329999999999998 109.27 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.19 79.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.249 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.04 HD13 HD12 ' A' ' 90' ' ' ILE . 14.4 mt -51.48 -45.93 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 60.530000000000001 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -136.51 158.89 43.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 71.200000000000003 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -61.45 -13.34 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 75.299999999999997 110.375 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.0 12.61 6.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 63.409999999999997 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 66' ' ' TRP . 62.7 m -129.09 156.94 43.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 73.019999999999996 110.387 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 38' ' ' VAL . 2.2 tm? -136.24 143.82 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.409999999999997 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm? -128.27 104.99 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 55.229999999999997 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 0.9 OUTLIER -90.53 121.78 32.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 73.230000000000004 110.292 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.766 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 0.4 OUTLIER -108.79 128.42 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 72.299999999999997 109.36 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 3.9 m170 -124.39 104.04 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 109.595 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 13.8 tt -85.12 143.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.200000000000003 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 14.4 p90 -154.8 -178.49 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.040000000000006 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.617 ' CG ' HD23 ' A' ' 4' ' ' LEU . 32.6 t80 -98.36 143.14 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 111.008 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' HIS . 17.2 t0 -113.94 82.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 73.140000000000001 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.491 ' CE1' ' CD2' ' A' ' 52' ' ' TYR . 50.3 m-70 -55.96 -18.81 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.626 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 56' ' ' TYR . 92.2 t -57.01 -43.61 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.409999999999997 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 55' ' ' VAL . 14.9 m-85 -122.56 3.11 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 75.340000000000003 110.979 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 32.6 m-70 60.21 49.09 7.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 73.140000000000001 109.612 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.662 ' HB ' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -150.24 164.03 22.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 71.230000000000004 109.318 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 147.46 33.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 73.409999999999997 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 10.3 t -128.71 179.92 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.983 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 5.4 mt -134.83 143.01 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 0.5 OUTLIER -155.42 118.45 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 75.540000000000006 109.29 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 21.2 p90 -134.27 171.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.329999999999998 110.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 13.8 mtm180 -140.78 124.9 17.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 110.275 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 79' ' ' LEU . 72.3 mt -67.0 146.92 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 74.030000000000001 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.612 ' O ' HG23 ' A' ' 44' ' ' THR . 86.0 m95 -139.98 154.11 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 108.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.818 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.55 97.66 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 74.230000000000004 110.019 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -66.87 123.71 20.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 63.119999999999997 109.312 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.65 109.43 16.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 34.83 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.420000000000002 110.425 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -42.89 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 65.230000000000004 110.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.9 mt-10 -105.81 -11.57 16.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 71.239999999999995 110.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.77 52.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -112.8 -3.47 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 44.310000000000002 109.268 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t 70.75 41.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 110.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.834 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -80.03 175.02 11.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 31.23 110.023 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.6 pp -169.33 162.92 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 60.140000000000001 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.82 134.5 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 110.27 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.928 HD21 ' HB ' ' A' ' 109' ' ' VAL . 7.3 tp -55.12 125.32 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 75.150000000000006 109.357 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.818 HD11 ' HB2' ' A' ' 67' ' ' SER . 30.1 mt -90.42 142.66 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 71.099999999999994 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -137.04 96.26 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.239999999999995 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -129.86 167.17 18.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.304 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -65.3 -171.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 70.310000000000002 110.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' ARG . 67.4 m-20 -73.12 -36.43 66.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 51.219999999999999 109.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -48.26 -42.24 30.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 109.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.829 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.3 mt-10 -82.55 -45.23 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 73.239999999999995 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.21 -20.06 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 73.400000000000006 109.273 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.472 ' N ' HD13 ' A' ' 87' ' ' LEU . 1.9 tmt_? -89.54 -20.51 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 64.030000000000001 110.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -59.73 -15.99 24.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 110.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.04 HD12 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -123.77 -47.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 74.510000000000005 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.69 HD12 HD21 ' A' ' 87' ' ' LEU . 3.2 mt -79.34 173.24 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 45.140000000000001 109.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.751 ' CG ' HD12 ' A' ' 143' ' ' LEU . 64.7 m-80 -136.48 106.07 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.439999999999998 109.262 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.81 -58.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.340000000000003 109.252 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.96 -81.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 45.039999999999999 111.04 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.9 t -113.59 -20.76 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 60.119999999999997 110.373 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.36 -176.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.540000000000006 110.965 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.457 ' CB ' ' ND2' ' A' ' 114' ' ' ASN . 2.2 m -144.88 160.0 41.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 62.439999999999998 109.965 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 99' ' ' THR . 8.1 p -135.27 168.53 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.040000000000006 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.447 ' H ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -141.99 109.53 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 51.130000000000003 110.424 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.847 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -90.37 126.3 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 52.340000000000003 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.526 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.8 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 41.329999999999998 109.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.98 -0.378 . . . . 55.149999999999999 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.928 ' HB ' HD21 ' A' ' 79' ' ' LEU . 85.1 t -146.13 161.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 55.340000000000003 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 109' ' ' VAL . 1.5 m-85 -153.29 179.55 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.209999999999994 110.998 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.847 ' CE1' HD12 ' A' ' 100' ' ' LEU . 41.4 m-85 -137.67 81.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.549999999999997 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.569 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 80.8 m-85 -70.84 108.54 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 53.240000000000002 111.03 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.442 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.9 mt -69.49 146.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 73.540000000000006 109.323 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.457 ' ND2' ' CB ' ' A' ' 97' ' ' SER . 4.1 m-20 -66.92 110.32 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.308 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 32.9 t30 -129.73 38.06 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 65.120000000000005 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.09 -45.7 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 62.420000000000002 108.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -95.3 61.83 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 73.409999999999997 109.312 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.662 HG21 ' HB ' ' A' ' 58' ' ' VAL . 97.3 m -65.82 -60.21 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 70.010000000000005 110.387 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.54 -12.1 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 63.25 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 11.1 m-20 -84.8 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.450000000000003 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 129' ' ' TYR . 7.0 p -104.96 -51.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.507 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 37.41 38.33 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -73.93 -80.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 62.43 109.975 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -161.27 138.92 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.450000000000003 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.047 HG13 HD13 ' A' ' 2' ' ' LEU . 41.1 t -62.82 -14.01 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.409999999999997 109.331 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.32 -67.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 61.25 110.279 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -116.65 46.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.589 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.558 ' CE1' HG13 ' A' ' 122' ' ' VAL . 3.7 t80 -75.24 -37.46 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.902 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.6 mm? -58.44 -28.81 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 75.450000000000003 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 134' ' ' ILE . 18.3 p -88.53 -49.34 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 64.109999999999999 110.433 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -66.25 -16.86 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 73.239999999999995 110.356 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.646 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 69.9 t90 -87.08 -60.92 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.948 -1.13 . . . . 73.030000000000001 107.948 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.83 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -54.18 -54.42 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 61.049999999999997 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 134' ' ' ILE . 41.3 t -57.43 -15.62 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 61.299999999999997 110.011 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -93.89 -34.67 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 9.0 m-85 -94.35 -2.24 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 71.030000000000001 111.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.8 tp -84.22 -29.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 65.129999999999995 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 139' ' ' ARG . 14.5 mtm105 -60.11 -30.11 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.219999999999999 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 92' ' ' ASN . 11.2 mt -67.75 -9.37 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 55.439999999999998 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 98.0 m-85 -119.05 -31.66 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.57 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 1.1 p30 -148.51 107.46 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 64.450000000000003 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.751 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.4 mt -86.25 3.25 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 73.340000000000003 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.62 -12.08 17.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 18.3 t80 -121.02 108.92 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.230000000000004 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.13 94.32 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 72.200000000000003 109.339 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.79 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 73.099999999999994 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' HG23 ' A' ' 3' ' ' THR . 11.9 ptm . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.465 0.174 . . . . 65.010000000000005 110.974 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.821 HD12 HG13 ' A' ' 126' ' ' VAL . 5.8 tp -50.25 98.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 62.210000000000001 109.294 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.48 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 71.0 p -73.18 -167.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 54.100000000000001 110.426 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.64 -46.06 4.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.283 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.98 -7.73 19.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 72.049999999999997 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.53 -37.98 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 70.319999999999993 110.276 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.959 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.63 -35.89 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 110.977 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.569 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -65.09 -17.91 64.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 109.319 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -73.21 -22.98 60.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.25 110.265 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 3.5 mt-30 -118.37 18.87 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 110.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.959 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -62.57 -47.84 87.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 70.549999999999997 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.17 9.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 72.409999999999997 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.5 m-20 -90.83 -33.64 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.510000000000005 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 130' ' ' LEU . 16.3 t -70.22 -54.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 63.219999999999999 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.877 ' O ' HG23 ' A' ' 19' ' ' THR . 19.6 ptt180 -64.58 -34.74 78.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -52.53 -44.0 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 44.420000000000002 110.015 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.938 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.2 pp -86.57 -31.91 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 62.329999999999998 109.259 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.826 ' N ' HD12 ' A' ' 17' ' ' LEU . 5.8 tp -56.37 -23.07 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.877 HG23 ' O ' ' A' ' 15' ' ' ARG . 68.8 p -57.08 -16.82 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 64.120000000000005 110.415 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -74.24 -30.47 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.9 t90 -55.64 128.13 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.540000000000006 108.032 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.97 -11.39 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 55.299999999999997 109.28 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -82.43 -16.06 50.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 63.109999999999999 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 51.8 t -78.63 123.46 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 62.310000000000002 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.02 -25.92 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 62.240000000000002 110.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -125.51 132.94 52.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.25 110.334 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mm -126.2 109.06 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.310000000000002 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.2 tt0 -143.57 146.17 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 64.340000000000003 110.247 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.571 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.0 p-10 -108.07 157.08 18.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 64.019999999999996 109.263 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 33' ' ' GLY . 1.3 m -131.66 175.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 51.030000000000001 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.45 92.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 110.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 74.03 49.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 75.230000000000004 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 174.55 -174.62 46.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 53.539999999999999 111.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.26 144.71 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 54.43 109.319 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -129.38 111.8 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 74.519999999999996 110.274 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.747 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.01 168.99 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.78 95.12 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.428 HG11 ' CH2' ' A' ' 21' ' ' TRP . 5.5 t -82.29 123.93 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 73.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -85.42 79.67 9.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 65.140000000000001 110.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.927 HD13 HD12 ' A' ' 90' ' ' ILE . 16.1 mt -55.62 -37.1 67.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 72.120000000000005 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 18.2 ttmt -145.32 157.84 43.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 73.540000000000006 109.276 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.14 -15.65 15.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.099999999999994 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -130.01 20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 52.520000000000003 109.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 66' ' ' TRP . 34.6 m -133.72 151.84 51.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 110.396 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.958 HD11 ' HG3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -135.24 139.32 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 62.509999999999998 109.261 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.692 ' HG ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -125.93 107.39 10.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 51.340000000000003 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.958 ' HG3' HD11 ' A' ' 45' ' ' LEU . 23.9 mt-10 -85.89 107.12 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.340000000000003 110.272 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.3 tt -96.19 140.8 30.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.040000000000006 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -134.96 126.57 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.643 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 6.9 tt -105.93 127.07 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.349999999999994 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -138.89 172.53 12.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 63.439999999999998 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CG ' HD22 ' A' ' 4' ' ' LEU . 61.5 t80 -102.32 150.08 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 110.973 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.13 111.19 20.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 64.040000000000006 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -81.04 3.74 22.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 71.120000000000005 109.606 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -85.95 -40.36 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 64.219999999999999 109.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.04 -7.67 9.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 64.519999999999996 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 64.7 51.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.579 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.558 HG11 ' HB ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -148.33 165.3 18.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 109.337 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.3 32.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 61.039999999999999 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 13.1 t -124.38 171.4 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 73.109999999999999 110.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.566 HD11 ' CZ2' ' A' ' 133' ' ' TRP . 13.6 mt -138.54 137.54 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.409999999999997 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 25.8 ttpt -155.58 123.4 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 6.7 p90 -136.45 166.73 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 73.010000000000005 110.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.635 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 5.0 mtp180 -132.51 124.85 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 73.329999999999998 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.97 HD11 HD23 ' A' ' 87' ' ' LEU . 64.7 mt -72.85 138.66 46.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 71.219999999999999 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.635 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 89.4 m95 -127.93 171.21 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 55.25 108.03 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.594 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -142.54 97.47 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 40.030000000000001 109.998 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 122.68 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 73.239999999999995 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.4 113.34 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 75.349999999999994 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 29.79 5.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 60.43 110.378 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.44 -42.08 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 110.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.9 mt-10 -105.31 -14.95 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 63.219999999999999 110.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.4 t70 81.74 48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 74.030000000000001 109.278 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.814 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.96 -2.12 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 73.040000000000006 109.289 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t 73.56 43.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 35.219999999999999 110.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.814 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -78.14 176.75 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 63.219999999999999 109.991 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.8 pp -169.39 164.86 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 64.209999999999994 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' SER . 45.8 ttp85 -155.28 158.41 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.310000000000002 110.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 64' ' ' ARG . 8.7 tp -73.13 130.55 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 62.439999999999998 109.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 67' ' ' SER . 21.4 mt -95.19 162.64 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 72.219999999999999 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -155.18 104.84 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 71.140000000000001 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -134.43 167.07 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.349999999999994 109.278 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -71.07 -168.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -76.71 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 64.239999999999995 109.266 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 t -51.16 -32.74 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 63.329999999999998 110.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.515 ' HB3' HD12 ' A' ' 82' ' ' LEU . 6.5 mt-10 -82.54 -29.61 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 110.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.019 HD11 HD12 ' A' ' 91' ' ' LEU . 2.3 tm? -83.24 -15.16 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 61.020000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -81.09 -19.13 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 110.271 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -65.4 -22.19 66.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 109.995 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.927 HD12 HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -112.5 -34.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 63.020000000000003 109.272 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.019 HD12 HD11 ' A' ' 87' ' ' LEU . 19.1 mt -95.27 -179.67 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 52.520000000000003 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.9 m-80 -144.69 101.32 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 53.350000000000001 109.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.97 -58.38 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.510000000000005 109.334 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.62 -81.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -118.75 -8.25 10.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 110.396 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.0 -171.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 62.100000000000001 110.947 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -149.23 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.310000000000002 109.986 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.709 HG23 ' HA ' ' A' ' 113' ' ' ILE . 10.4 p -153.73 160.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 41.109999999999999 109.293 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -136.89 132.24 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 64.310000000000002 110.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.814 HD12 ' CE1' ' A' ' 111' ' ' TYR . 6.4 tt -92.2 136.54 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.716 ' N ' HD23 ' A' ' 100' ' ' LEU . 23.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 34.039999999999999 109.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.995 -0.372 . . . . 72.319999999999993 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 79' ' ' LEU . 2.9 p -134.74 163.1 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.140000000000001 109.276 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.463 ' N ' HG22 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -160.59 175.78 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.510000000000005 110.985 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CE1' HD12 ' A' ' 100' ' ' LEU . 34.0 m-85 -121.92 157.76 30.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.010000000000005 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 34.2 m-85 -136.67 103.3 5.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 111.057 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.709 ' HA ' HG23 ' A' ' 98' ' ' VAL . 4.9 mt -66.63 132.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 71.439999999999998 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -51.06 110.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.261 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -141.67 28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 63.140000000000001 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.68 -41.86 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 45.43 108.298 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.896 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 61.4 m-20 -115.16 84.67 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 75.299999999999997 109.338 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.859 HG22 ' OH ' ' A' ' 129' ' ' TYR . 21.1 m -78.88 -57.14 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 110.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.39 -26.12 64.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.25 109.341 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.896 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.79 -15.36 37.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 21.100000000000001 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 20.3 m-20 -94.53 -69.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.430000000000007 109.253 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.778 ' HB ' HD13 ' A' ' 136' ' ' LEU . 8.0 p -82.56 -54.36 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 85.26 -19.9 20.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 42.43 111.001 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.588 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 12.4 t -38.09 142.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.8 . . . . 74.239999999999995 109.98 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.79 -178.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 2' ' ' LEU . 16.5 t -84.33 -8.54 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.319999999999993 109.318 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.41 -67.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.319999999999993 110.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.08 47.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.628 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.859 ' OH ' HG22 ' A' ' 118' ' ' THR . 2.1 t80 -77.04 -47.9 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.209999999999994 111.018 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.3 mm? -67.92 -21.39 65.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.150000000000006 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 134' ' ' ILE . 7.4 p -89.72 -36.6 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 110.391 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.72 -16.51 36.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.450000000000003 110.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.566 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 80.4 t90 -86.4 -39.3 16.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 108.033 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.769 HD13 ' CG1' ' A' ' 14' ' ' VAL . 9.6 tp -61.99 -47.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 35.109999999999999 109.29 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.474 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 46.5 t -72.82 -3.68 27.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.982 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.778 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.53 -44.22 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 72.140000000000001 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -85.99 -48.62 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 61.329999999999998 111.021 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.773 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.2 tp -51.26 -30.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 71.230000000000004 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 135' ' ' SER . 9.3 mtp180 -59.01 -34.51 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 71.519999999999996 110.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASN . 74.4 mt -64.59 -10.82 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 109.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.667 ' CE2' HD12 ' A' ' 48' ' ' LEU . 5.7 m-85 -116.9 -27.47 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 71.310000000000002 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -147.98 100.65 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 55.420000000000002 109.269 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 92' ' ' ASN . 6.1 mt -84.8 2.66 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 60.219999999999999 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -102.2 -25.84 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 34.409999999999997 109.266 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 4.2 t80 -99.52 104.88 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 71.239999999999995 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 96.63 36.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 62.43 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.938 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 53.310000000000002 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.473 0.178 . . . . 72.319999999999993 111.005 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.1 136.72 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 62.240000000000002 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.496 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 49.5 p -81.38 -174.02 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 62.119999999999997 110.401 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -77.58 -44.71 2.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 60.43 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -11.79 21.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 75.310000000000002 111.013 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 4.9 mm-40 -88.27 -33.64 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.540000000000006 110.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.999 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.97 -19.71 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.993 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -76.11 -15.15 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.31 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -71.36 -25.46 62.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 61.329999999999998 110.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -111.92 15.34 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 54.439999999999998 110.296 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.657 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -62.91 -46.86 87.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 61.009999999999998 109.283 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.97 0.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 54.439999999999998 111.001 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.8 m-20 -91.68 -34.72 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 130' ' ' LEU . 4.0 t -71.67 -47.13 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 72.010000000000005 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.824 ' O ' HG23 ' A' ' 19' ' ' THR . 31.0 ptt180 -68.8 -18.63 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.340000000000003 110.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' OG1' ' A' ' 19' ' ' THR . 13.3 t -75.55 -37.52 59.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 147' ' ' PRO . 4.6 pp -88.62 -29.34 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 72.329999999999998 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 17' ' ' LEU . 8.8 mt -71.27 -28.18 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -61.97 -12.46 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 73.540000000000006 110.37 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.65 -20.97 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.439999999999998 109.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.503 ' CE3' HG23 ' A' ' 24' ' ' VAL . 1.4 t90 -48.71 130.55 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 108.046 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 -1.53 57.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 43.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -101.58 -26.29 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 72.140000000000001 109.306 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.503 HG23 ' CE3' ' A' ' 21' ' ' TRP . 15.9 t -62.25 134.09 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 54.240000000000002 109.276 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 22.2 tt0 -111.71 -31.87 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 63.299999999999997 110.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -125.91 143.5 51.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 61.420000000000002 110.283 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 27' ' ' ILE . 7.8 mm -129.49 103.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 61.409999999999997 109.272 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -128.39 136.36 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 64.340000000000003 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' HA ' HD23 ' A' ' 34' ' ' LEU . 11.7 p-10 -109.45 139.42 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 34' ' ' LEU . 26.5 m -109.98 169.69 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 63.219999999999999 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 6.8 tt0 -90.95 21.41 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 74.219999999999999 110.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -153.93 26.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 63.310000000000002 109.305 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 30' ' ' VAL . . . 145.57 -121.33 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 53.020000000000003 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.537 ' N ' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -164.55 148.17 9.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 64.25 109.338 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -132.86 110.88 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 74.299999999999997 110.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.46 168.81 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 71.430000000000007 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 4.4 m-20 -127.99 95.45 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.010000000000005 109.257 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' HD22 ' A' ' 45' ' ' LEU . 2.2 t -88.06 148.55 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 73.200000000000003 109.332 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 17.3 tpp180 -106.1 78.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.046 ' CD1' HD12 ' A' ' 90' ' ' ILE . 11.8 mt -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 62.399999999999999 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.8 ttmt -144.97 157.37 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 54.520000000000003 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -58.9 -19.81 45.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.530000000000001 110.382 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.74 21.8 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 60.109999999999999 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 66' ' ' TRP . 13.6 m -139.01 141.66 38.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 55.350000000000001 110.376 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.598 ' C ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm? -124.23 129.38 50.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 73.099999999999994 109.278 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.848 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.5 tm? -108.92 98.4 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.130000000000003 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.9 tt0 -80.38 105.43 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 110.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 141' ' ' PHE . 1.8 tt -96.19 129.82 43.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -133.21 126.77 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 64.049999999999997 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 12.2 tt -103.86 140.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 73.299999999999997 109.349 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 39.4 p90 -153.82 139.49 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 111.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CB ' HD23 ' A' ' 4' ' ' LEU . 80.0 t80 -68.16 136.28 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 74.219999999999999 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.646 ' CG ' HG22 ' A' ' 55' ' ' VAL . 9.1 t0 -100.62 109.54 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 74.219999999999999 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -79.78 1.46 26.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 72.319999999999993 109.631 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.671 HG23 ' CD2' ' A' ' 56' ' ' TYR . 2.2 m -85.36 -35.31 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 109.263 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.671 ' CD2' HG23 ' A' ' 55' ' ' VAL . 42.1 m-85 -122.42 -3.59 8.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 111.012 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.29 23.75 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 70.140000000000001 109.613 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' HB ' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -127.93 161.89 53.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 44.32 109.345 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 149.16 36.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 64.540000000000006 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -123.49 174.73 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.006 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.855 HD12 ' CD1' ' A' ' 137' ' ' TYR . 20.3 mt -138.98 129.42 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 109.26 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -142.74 133.11 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 64.049999999999997 109.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 91' ' ' LEU . 31.5 p90 -144.35 157.33 44.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.420000000000002 111.027 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.8 mtm180 -127.88 122.54 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.109999999999999 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 79' ' ' LEU . 35.1 mt -66.83 147.44 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 64.310000000000002 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.67 ' O ' HG23 ' A' ' 44' ' ' THR . 86.8 m95 -140.57 154.36 46.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 73.349999999999994 107.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.52 ' HB2' HD21 ' A' ' 80' ' ' LEU . 6.2 t -126.15 97.35 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 110.063 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -66.42 120.52 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 62.140000000000001 109.279 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.26 112.51 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.030000000000001 109.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 32.97 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 73.349999999999994 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -42.7 -43.24 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.540000000000006 110.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.6 mt-10 -104.97 -13.77 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.439999999999998 110.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t0 81.85 50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.38 -8.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.540000000000006 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 80.09 42.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 109.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.81 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -75.37 -177.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 64.329999999999998 110.015 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.8 pp -174.49 163.46 3.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 74.340000000000003 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 130.97 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 65' ' ' LEU . 11.5 tp -56.69 134.36 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 67' ' ' SER . 72.8 mt -99.89 140.93 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 63.109999999999999 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.0 m -136.36 87.68 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 51.350000000000001 110.415 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -120.87 167.19 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.549999999999997 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 m -57.7 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 60.509999999999998 109.98 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -81.37 -27.84 34.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 109.304 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -64.26 -42.32 96.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 72.109999999999999 110.02 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . 3.7 mm-40 -72.92 -46.83 50.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 62.350000000000001 110.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.907 HD21 HD12 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -57.4 -44.05 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 71.319999999999993 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.509 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -54.95 -18.53 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 71.120000000000005 110.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 8.9 t -57.08 -20.21 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 40.240000000000002 110.026 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.046 HD12 ' CD1' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -118.64 -40.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 71.129999999999995 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.907 HD12 HD21 ' A' ' 87' ' ' LEU . 10.9 mt -86.49 178.37 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 109.307 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.792 ' O ' HG23 ' A' ' 140' ' ' ILE . 70.2 m-80 -140.1 105.1 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 65.239999999999995 109.254 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.98 -57.96 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 52.130000000000003 109.334 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.5 -81.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 23.140000000000001 110.972 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.8 t -118.23 12.14 13.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 0.771 . . . . 72.129999999999995 110.429 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -103.85 -177.03 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 70.030000000000001 111.047 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.501 ' HB3' ' ND2' ' A' ' 114' ' ' ASN . 33.4 t -145.81 166.66 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 63.100000000000001 110.019 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 99' ' ' THR . 6.7 p -140.7 166.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 63.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' VAL . 5.5 m -135.06 107.18 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 73.049999999999997 110.38 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.974 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -97.42 123.72 41.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.010000000000005 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.449 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.8 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 73.319999999999993 110.021 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.009 -0.367 . . . . 75.25 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.649 ' HB ' HD21 ' A' ' 79' ' ' LEU . 18.0 t -146.46 153.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 70.010000000000005 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -146.75 168.06 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 75.439999999999998 110.994 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.974 ' CE1' HD12 ' A' ' 100' ' ' LEU . 39.0 m-85 -123.24 78.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 70.319999999999993 110.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.555 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 87.8 m-85 -69.76 100.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 75.519999999999996 110.989 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -54.11 143.36 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 73.019999999999996 109.305 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.501 ' ND2' ' HB3' ' A' ' 97' ' ' SER . 2.9 m-20 -62.7 105.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 62.140000000000001 109.306 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 14.7 t30 -126.55 65.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 74.310000000000002 109.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 12.6 t -103.29 -55.54 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 62.009999999999998 108.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.8 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 20.8 p-10 -90.55 61.23 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.32 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.497 HG21 ' HB ' ' A' ' 58' ' ' VAL . 2.5 m -67.13 -49.56 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 55.039999999999999 110.425 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -67.45 -30.72 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.8 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.6 -10.76 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 32.539999999999999 109.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' ASP . 0.9 OUTLIER -84.44 -69.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 109.274 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.927 ' HB ' HD13 ' A' ' 136' ' ' LEU . 3.1 p -99.07 -50.33 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 42.530000000000001 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 35.95 61.6 0.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -76.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 62.43 109.972 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.06 140.35 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 71.030000000000001 109.289 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.423 HG13 HD12 ' A' ' 2' ' ' LEU . 48.7 t -62.91 -21.35 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 73.25 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -48.15 -67.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 110.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -127.6 47.0 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.230000000000004 109.584 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.533 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 5.8 t80 -65.44 -27.6 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.310000000000002 111.033 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.999 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -61.71 -30.48 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 74.299999999999997 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.3 p -83.67 -46.25 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 63.109999999999999 110.427 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.77 ' O ' HG21 ' A' ' 122' ' ' VAL . 2.7 tpt180 -71.99 -17.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 72.3 t90 -86.79 -58.97 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 75.209999999999994 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.636 HG12 HG13 ' A' ' 14' ' ' VAL . 9.2 tp -55.53 -53.98 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 73.329999999999998 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.509 ' N ' HG23 ' A' ' 134' ' ' ILE . 41.6 t -54.06 -18.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 74.239999999999995 109.991 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.927 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.2 OUTLIER -90.75 -33.77 15.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 70.310000000000002 109.301 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.855 ' CD1' HD12 ' A' ' 61' ' ' ILE . 14.6 m-85 -94.26 -2.54 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 110.975 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 145' ' ' PHE . 2.9 tp -83.27 -27.0 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 71.109999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -69.27 -5.75 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 45.109999999999999 110.31 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 92' ' ' ASN . 6.0 mt -92.92 -10.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 63.240000000000002 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.509 ' CE1' HD12 ' A' ' 48' ' ' LEU . 94.9 m-85 -115.96 -39.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 71.510000000000005 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.465 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -147.89 113.75 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 75.209999999999994 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.7 mt -85.94 3.38 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.268 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.24 -15.74 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 138' ' ' ILE . 42.1 t80 -76.73 112.25 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 72.120000000000005 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.85 102.71 46.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 72.120000000000005 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.852 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 71.209999999999994 111.044 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.475 0.178 . . . . 73.310000000000002 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.804 HD13 HG13 ' A' ' 126' ' ' VAL . 21.2 tp -50.63 100.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.340000000000003 109.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.6 p -64.88 -172.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 110.406 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.51 -45.57 3.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 75.129999999999995 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.92 -11.05 21.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 72.319999999999993 111.048 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HB3' HD12 ' A' ' 2' ' ' LEU . 30.8 mm-40 -88.78 -32.92 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.109999999999999 110.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.925 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.28 -20.32 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 75.319999999999993 111.007 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 12.4 m-20 -79.75 -15.25 57.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 109.256 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 71.109999999999999 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -114.5 15.84 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.439999999999998 110.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.93 -47.46 98.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.219999999999999 109.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 63.240000000000002 111.001 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.2 m-20 -93.54 -35.65 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 62.530000000000001 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.752 HG13 HG12 ' A' ' 134' ' ' ILE . 39.2 t -65.4 -50.77 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 60.43 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 19' ' ' THR . 8.2 ptm180 -65.25 -29.65 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 72.329999999999998 110.322 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -59.4 -41.99 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.984 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -85.84 -32.44 21.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 53.119999999999997 109.335 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.917 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.4 tp -55.99 -23.51 33.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.409999999999997 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.875 HG23 ' O ' ' A' ' 15' ' ' ARG . 81.7 p -57.85 -29.17 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 54.530000000000001 110.417 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 57.1 mmtt -58.49 -21.13 50.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.993 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -71.09 110.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 73.340000000000003 107.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.33 -13.25 58.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 71.010000000000005 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.52 -26.25 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 72.200000000000003 109.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' ' 21' ' ' TRP . 41.4 t -61.5 138.68 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.259 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' CD ' ' NH2' ' A' ' 39' ' ' ARG . 13.0 tt0 -115.92 -34.75 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 110.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -124.99 155.68 39.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 110.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.59 HD13 HD23 ' A' ' 36' ' ' LEU . 2.2 mm -138.49 106.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 63.240000000000002 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.72 151.45 51.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 110.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.92 151.15 30.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.099999999999994 109.333 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.469 HG22 ' CA ' ' A' ' 34' ' ' LEU . 6.3 m -128.48 157.43 40.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 72.409999999999997 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 8.7 tt0 -59.09 92.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.120000000000005 110.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER 81.98 58.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 75.010000000000005 109.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.37 -160.91 30.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 111.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CA ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -158.98 154.77 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 72.310000000000002 109.272 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.459 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -139.31 114.36 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.340000000000003 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.82 HD21 HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -122.93 169.05 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 71.329999999999998 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.5 95.57 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 51.149999999999999 109.277 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.993 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 59.6 t -86.66 112.37 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 72.219999999999999 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' CD ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -82.4 94.51 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 63.240000000000002 110.297 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 46' ' ' LEU . 9.0 mp -76.98 -40.97 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.219999999999999 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -136.79 156.81 48.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 m -59.7 -15.73 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.349999999999994 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -131.38 22.0 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.341 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 10.5 m -139.74 138.11 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 61.340000000000003 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.986 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -131.03 133.92 46.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.986 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.6 tm? -114.46 85.98 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.338 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.2 tp10 -67.3 107.53 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 71.209999999999994 110.274 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 HG23 ' A' ' 61' ' ' ILE . 2.1 tm? -90.64 128.68 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 55.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.552 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 1.6 m170 -129.46 116.71 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 64.099999999999994 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -94.49 131.52 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.420000000000002 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.451 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 7.3 p90 -147.87 141.03 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.685 ' CD1' HD23 ' A' ' 4' ' ' LEU . 29.7 t80 -86.4 141.25 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 74.430000000000007 111.044 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.744 ' OD1' HG23 ' A' ' 55' ' ' VAL . 54.9 t0 -114.47 127.78 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.329999999999998 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -83.47 3.81 30.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 64.420000000000002 109.62 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.744 HG23 ' OD1' ' A' ' 53' ' ' ASP . 55.2 t -70.24 -45.16 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.239999999999995 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD2' HG12 ' A' ' 55' ' ' VAL . 61.0 m-85 -119.55 -0.23 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 111.009 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.407 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.6 m-70 64.94 48.5 2.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 109.554 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.565 HG11 ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.33 165.2 18.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 61.409999999999997 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 7' ' ' TYR . 18.6 Cg_endo -74.95 155.1 43.13 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 74.019999999999996 111.041 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.451 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 29.7 t -136.65 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 51.539999999999999 110.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD2' ' A' ' 137' ' ' TYR . 1.4 mp -130.36 148.09 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 16.9 ttpt -155.17 119.04 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 61.539999999999999 109.338 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.676 ' CD1' HD21 ' A' ' 46' ' ' LEU . 52.1 p90 -136.45 171.11 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.129999999999995 111.025 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.834 ' HB3' HD11 ' A' ' 79' ' ' LEU . 18.3 mtm180 -143.0 128.05 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.022 HD11 HD23 ' A' ' 87' ' ' LEU . 64.3 mt -65.96 137.98 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.671 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 91.4 m95 -133.52 150.85 51.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.973 -1.121 . . . . 70.549999999999997 107.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.49 ' HB3' HD11 ' A' ' 80' ' ' LEU . 60.4 p -125.23 97.6 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 109.992 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -68.06 122.5 18.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 64.299999999999997 109.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -117.67 113.75 22.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 109.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.19 34.01 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 70.310000000000002 110.387 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -55.64 -36.19 66.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 64.219999999999999 110.256 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.657 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.56 -1.98 20.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 75.219999999999999 110.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.33 47.85 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 44.530000000000001 109.346 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.734 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.08 -8.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 51.149999999999999 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.8 t 79.17 50.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.150000000000006 110.033 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.633 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.93 -176.17 5.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.430000000000007 110.009 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.9 pp -172.75 167.15 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 75.519999999999996 109.275 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -155.18 133.36 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 71.450000000000003 110.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 65' ' ' LEU . 21.3 tp -60.99 132.8 55.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 72.099999999999994 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 67' ' ' SER . 64.1 mt -98.71 162.67 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 64.340000000000003 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.4 p -153.04 110.97 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 75.349999999999994 110.412 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -138.57 167.0 22.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 55.439999999999998 109.291 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -71.04 -171.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 72.219999999999999 110.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' ARG . 36.1 m-20 -71.46 -55.52 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 52.210000000000001 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -50.62 -35.02 28.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 55.43 109.985 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.31 -32.47 26.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 110.273 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.022 HD23 HD11 ' A' ' 65' ' ' LEU . 1.3 tm? -77.91 -13.0 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 71.010000000000005 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -90.05 -19.57 24.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 71.140000000000001 110.323 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -53.34 -20.48 4.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 63.240000000000002 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.02 -43.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 71.209999999999994 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 87' ' ' LEU . 4.5 mt -80.99 160.52 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 62.240000000000002 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 140' ' ' ILE . 64.8 m-80 -122.79 100.71 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 61.039999999999999 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -87.36 -57.92 2.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 71.299999999999997 109.272 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.89 -82.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 70.310000000000002 111.058 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.5 t -112.72 -22.41 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 71.120000000000005 110.458 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.667 ' HZ ' HD13 ' A' ' 136' ' ' LEU . 9.8 m-85 -73.99 166.3 23.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 71.25 110.986 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -127.63 177.55 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 99' ' ' THR . 2.9 t -149.32 163.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.450000000000003 109.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.509 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 2.5 m -147.62 108.85 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 51.009999999999998 110.405 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.894 HD11 HG12 ' A' ' 109' ' ' VAL . 14.4 tp -95.13 121.16 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 109.994 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.942 -0.392 . . . . 53.32 109.942 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.894 HG12 HD11 ' A' ' 100' ' ' LEU . 2.3 t -137.63 140.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 62.329999999999998 109.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.869 ' O ' HD12 ' A' ' 100' ' ' LEU . 2.6 m-85 -126.92 145.11 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 73.200000000000003 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.724 ' CD1' HD13 ' A' ' 100' ' ' LEU . 26.9 m-85 -105.84 80.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 81.5 m-85 -68.74 116.05 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 110.977 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 137' ' ' TYR . 5.3 mt -74.24 132.79 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.409999999999997 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.96 113.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.34 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 8.7 t30 -142.3 93.84 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.340000000000003 109.309 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.42 -55.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 63.539999999999999 108.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 7.1 m-20 -88.36 56.96 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 44.119999999999997 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.565 ' CG2' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -67.46 -32.87 74.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 63.039999999999999 110.389 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.23 -34.43 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.040000000000006 109.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.74 -10.56 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.420000000000002 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' ASP . 1.6 m120 -83.67 -69.82 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 73.519999999999996 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 129' ' ' TYR . 9.8 p -95.38 -53.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.536 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 35.31 44.2 0.56 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 71.519999999999996 111.015 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 m -81.32 -78.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 73.129999999999995 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -162.85 139.31 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 70.109999999999999 109.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.804 HG13 HD13 ' A' ' 2' ' ' LEU . 11.9 t -62.63 -14.16 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 109.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.71 -67.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.200000000000003 110.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -118.09 47.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 72.510000000000005 109.602 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 3.8 t80 -75.07 -35.88 61.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 52.130000000000003 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.925 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -66.31 -26.8 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.518 ' HA ' HD21 ' A' ' 17' ' ' LEU . 70.1 p -83.44 -39.72 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 110.377 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.455 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -83.55 -16.16 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 71.25 110.335 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.573 ' CH2' ' CD1' ' A' ' 61' ' ' ILE . 38.0 t90 -86.15 -29.47 23.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 61.25 108.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.752 HG12 HG13 ' A' ' 14' ' ' VAL . 9.1 tp -87.39 -45.38 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 73.049999999999997 109.341 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.497 ' O ' HG22 ' A' ' 138' ' ' ILE . 48.3 t -60.73 -28.13 68.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 72.439999999999998 110.008 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.805 ' C ' HD12 ' A' ' 136' ' ' LEU . 0.6 OUTLIER -81.5 -27.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 63.530000000000001 109.314 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -94.77 -12.19 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 70.439999999999998 110.984 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.544 HG12 ' CE2' ' A' ' 145' ' ' PHE . 3.7 tp -81.35 -17.73 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 72.319999999999993 109.352 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -75.32 -10.73 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 64.219999999999999 110.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.76 HG23 ' O ' ' A' ' 92' ' ' ASN . 21.6 mt -89.49 -10.48 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 97.9 m-85 -118.28 -29.91 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.510000000000005 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.553 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.2 121.08 8.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.34 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.641 HD12 ' ND2' ' A' ' 92' ' ' ASN . 4.2 mt -98.87 2.74 46.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 72.109999999999999 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -106.63 -16.87 14.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 72.319999999999993 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -107.8 111.03 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 64.329999999999998 110.999 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.29 102.32 45.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 73.109999999999999 109.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.694 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 61.329999999999998 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.535 0.207 . . . . 71.239999999999995 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 7' ' ' TYR . 1.5 tp -50.6 108.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.310000000000002 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.493 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.7 p -76.22 -166.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.209999999999994 110.385 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.0 -45.64 3.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 62.210000000000001 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -75.0 -8.45 20.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 74.340000000000003 110.99 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HB3' HD12 ' A' ' 2' ' ' LEU . 4.9 mm-40 -88.16 -37.85 15.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 52.509999999999998 110.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.949 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.94 -31.28 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 111.015 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.525 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -67.28 -15.55 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 62.43 109.277 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -76.15 -36.25 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 72.230000000000004 110.259 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.92 11.25 39.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 110.304 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.688 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -60.84 -46.45 96.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 73.409999999999997 109.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 35.119999999999997 110.969 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.0 m-20 -90.46 -34.49 15.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 61.030000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.613 HG13 HG12 ' A' ' 134' ' ' ILE . 54.7 t -69.52 -50.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.737 ' HD2' HD21 ' A' ' 34' ' ' LEU . 10.0 ptm180 -66.42 -18.83 65.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 110.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -75.59 -36.34 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 73.319999999999993 109.979 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.932 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -87.03 -32.29 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 71.010000000000005 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.932 ' N ' HD12 ' A' ' 17' ' ' LEU . 11.4 mt -59.33 -22.07 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 51.32 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 15' ' ' ARG . 59.9 p -51.56 -30.61 21.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 61.340000000000003 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.19 -33.79 76.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 43.43 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 1.135 ' CH2' HG21 ' A' ' 38' ' ' VAL . 4.3 t90 -52.19 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 107.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.14 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 73.230000000000004 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.607 ' HB2' HG13 ' A' ' 38' ' ' VAL . 2.0 mtpp -70.98 -20.65 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.508 HG23 ' CD2' ' A' ' 21' ' ' TRP . 10.5 t -75.46 125.41 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 72.549999999999997 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.23 -38.1 7.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.140000000000001 110.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -125.47 131.85 52.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 74.209999999999994 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.519 HD13 HD22 ' A' ' 36' ' ' LEU . 2.5 mm -114.72 103.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.140000000000001 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 29' ' ' ASP . 3.4 tm0? -121.12 155.38 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 110.298 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 8.9 t70 -116.01 156.08 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.491 HG22 ' C ' ' A' ' 33' ' ' GLY . 17.3 m -132.67 175.21 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 64.340000000000003 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 30.8 mt-30 -72.01 93.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 73.040000000000006 110.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 80.33 44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.450000000000003 109.335 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' C ' HG22 ' A' ' 30' ' ' VAL . . . 173.94 -171.18 44.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 62.039999999999999 111.036 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.737 HD21 ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -148.13 137.95 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 0.814 . . . . 74.420000000000002 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -112.79 112.66 24.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 110.29 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.718 ' CD1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -116.01 145.56 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 73.400000000000006 109.311 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.818 ' CG ' HD21 ' A' ' 45' ' ' LEU . 1.1 t0 -110.64 100.54 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.530000000000001 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.135 HG21 ' CH2' ' A' ' 21' ' ' TRP . 23.7 t -91.11 139.46 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 60.149999999999999 109.306 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.675 ' NH1' HD13 ' A' ' 68' ' ' LEU . 4.4 tpt180 -103.09 90.72 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.109999999999999 110.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 46' ' ' LEU . 10.7 mp -70.76 -41.01 72.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 63.100000000000001 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -138.63 155.25 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 61.140000000000001 109.313 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 39' ' ' ARG . 1.2 m -59.65 -17.21 31.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 54.109999999999999 110.43 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 19.86 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 53.240000000000002 109.269 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 m -136.22 150.41 48.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.040000000000006 110.433 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' A' ' 37' ' ' ASP . 1.6 tm? -144.02 131.26 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 72.519999999999996 109.275 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.695 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.0 tm? -118.04 103.94 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' PHE . 2.0 tt0 -79.29 109.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 74.400000000000006 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 61' ' ' ILE . 1.7 tm? -94.51 119.04 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 73.230000000000004 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 7.2 m170 -119.26 108.19 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 63.210000000000001 109.603 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.427 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -88.66 129.7 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 60.219999999999999 109.267 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 9.2 p90 -146.0 159.59 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' A' ' 4' ' ' LEU . 2.7 t80 -103.49 149.7 24.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 53.450000000000003 110.95 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.746 ' OD1' HG23 ' A' ' 55' ' ' VAL . 65.5 t0 -121.74 132.64 54.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.519999999999996 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.443 ' CD2' ' HE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -87.25 3.72 45.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 71.510000000000005 109.551 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.746 HG23 ' OD1' ' A' ' 53' ' ' ASP . 55.4 t -71.57 -47.88 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 74.239999999999995 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CD2' HG12 ' A' ' 55' ' ' VAL . 51.0 m-85 -117.22 1.02 12.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 75.329999999999998 111.023 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 62.44 51.57 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 72.349999999999994 109.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -152.64 167.58 13.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 64.150000000000006 109.342 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.03 170.26 20.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 75.340000000000003 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.528 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 16.6 t -148.5 171.33 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.975 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.715 HG23 HD21 ' A' ' 48' ' ' LEU . 33.2 mt -132.47 136.23 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 71.129999999999995 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 112' ' ' TYR . 21.8 tttt -149.03 131.51 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 65.010000000000005 109.247 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.851 ' CE2' HD11 ' A' ' 113' ' ' ILE . 9.9 p90 -152.56 159.5 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 111.021 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 1.012 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -130.98 117.64 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 72.129999999999995 110.335 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.109 HD11 HD13 ' A' ' 87' ' ' LEU . 12.4 mt -58.21 145.28 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 65.319999999999993 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.727 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 95.6 m95 -131.83 151.0 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 75.430000000000007 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.757 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -124.82 97.76 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 44.109999999999999 109.99 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.675 HD13 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -67.19 126.24 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -119.21 112.38 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.61 36.52 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.109999999999999 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -38.02 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.636 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.0 mt-10 -108.09 -2.58 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 65.43 49.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.279 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.77 -8.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 65.010000000000005 109.297 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.1 t 79.83 45.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.400000000000006 109.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.752 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -83.13 177.01 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 71.129999999999995 109.959 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.49 165.95 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 43.140000000000001 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' LEU . 1.1 tpp85 -155.41 140.63 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.25 110.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.012 HD11 ' HB3' ' A' ' 64' ' ' ARG . 13.6 tp -57.34 129.99 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 70.420000000000002 109.289 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 67' ' ' SER . 34.1 mt -93.17 162.5 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 64.409999999999997 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 80' ' ' LEU . 6.6 p -154.76 109.32 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 110.391 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -139.54 166.92 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 50.229999999999997 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 m -62.35 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 61.240000000000002 109.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -47.0 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 60.399999999999999 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.89 -34.61 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 33.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' A' ' 82' ' ' LEU . 12.8 mt-10 -74.45 -33.13 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 63.210000000000001 110.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.109 HD13 HD11 ' A' ' 65' ' ' LEU . 3.9 tp -76.99 -30.61 56.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 75.510000000000005 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -17.52 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 74.109999999999999 110.298 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 -21.06 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.451 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -122.29 -43.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 64.329999999999998 109.253 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.33 160.39 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 74.140000000000001 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 140' ' ' ILE . 24.2 m120 -118.36 88.67 2.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 61.32 109.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -82.4 -56.97 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 63.149999999999999 109.297 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.07 -94.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 111.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -93.83 -24.51 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 65.140000000000001 110.415 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.47 -174.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.349999999999994 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 m -157.6 154.04 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 43.509999999999998 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.66 154.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 75.120000000000005 109.323 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -135.23 109.78 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.219999999999999 110.382 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.079 HD11 HG12 ' A' ' 109' ' ' VAL . 31.5 tp -70.42 136.53 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 75.200000000000003 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 110' ' ' TYR . 2.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 74.219999999999999 109.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.028 -0.36 . . . . 61.329999999999998 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.079 HG12 HD11 ' A' ' 100' ' ' LEU . 2.4 t -104.46 138.89 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.5 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.729 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.57 158.86 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 111.007 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.753 ' CD1' HD13 ' A' ' 100' ' ' LEU . 72.4 m-85 -109.56 118.53 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 74.510000000000005 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 62' ' ' LYS . 21.0 m-85 -97.56 117.94 32.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 73.530000000000001 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.851 HD11 ' CE2' ' A' ' 63' ' ' PHE . 34.8 mm -61.92 144.35 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 70.400000000000006 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.28 89.29 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 73.409999999999997 109.31 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 1.5 p30 -113.31 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.340000000000003 109.23 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.0 p -117.35 -42.57 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.450000000000003 108.318 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ASN . 54.4 m-20 -92.85 25.53 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 109.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -54.72 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 63.119999999999997 110.404 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.06 -25.69 67.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 109.281 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.39 -12.2 46.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 109.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 117' ' ' ASP . 31.0 m120 -90.21 -69.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 72.150000000000006 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.889 ' CG2' HD22 ' A' ' 136' ' ' LEU . 13.5 t -82.97 -64.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 55.310000000000002 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.39 26.53 7.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 71.420000000000002 111.009 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 t -64.78 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 54.25 109.994 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -166.11 133.56 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 65.239999999999995 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.614 HG23 ' CD1' ' A' ' 2' ' ' LEU . 1.3 p -54.5 -20.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 62.329999999999998 109.312 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -45.5 -67.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 70.219999999999999 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.71 46.9 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.239999999999995 109.642 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 11.7 t80 -74.99 -32.7 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 71.099999999999994 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.758 ' O ' HG22 ' A' ' 134' ' ' ILE . 3.5 mm? -54.6 -28.25 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 72.450000000000003 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.443 ' HA ' HG22 ' A' ' 134' ' ' ILE . 45.7 p -88.56 -51.97 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 62.130000000000003 110.394 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 12.6 tpt180 -64.34 -15.21 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.200000000000003 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.528 ' CD2' ' HG2' ' A' ' 59' ' ' PRO . 47.2 t90 -89.69 -62.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.984 -1.117 . . . . 72.239999999999995 107.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.758 HG22 ' O ' ' A' ' 130' ' ' LEU . 6.4 tp -50.59 -56.11 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 72.329999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.589 ' O ' HG22 ' A' ' 138' ' ' ILE . 28.7 t -54.59 -16.35 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 63.119999999999997 110.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.889 HD22 ' CG2' ' A' ' 122' ' ' VAL . 1.4 tp -77.15 -56.55 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 52.149999999999999 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.608 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 81.3 m-85 -76.21 -14.78 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 70.400000000000006 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 135' ' ' SER . 2.0 tp -60.5 -31.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -69.51 -6.48 30.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 70.239999999999995 110.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 92' ' ' ASN . 19.8 mt -92.89 -10.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.461 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 96.1 m-85 -115.54 -37.23 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 72.5 111.035 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.429 ' OD2' ' CB ' ' A' ' 145' ' ' PHE . 56.0 t0 -148.29 117.85 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 72.230000000000004 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.625 HD12 ' OD1' ' A' ' 92' ' ' ASN . 1.4 mt -92.09 2.67 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 60.140000000000001 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -103.79 -15.64 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 55.539999999999999 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.4 t80 -107.75 108.45 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 111.003 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.25 97.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.658 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 73.129999999999995 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.497 0.189 . . . . 71.540000000000006 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.753 HD13 HG13 ' A' ' 126' ' ' VAL . 12.1 tp -55.64 106.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 64.230000000000004 109.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 69.7 p -74.89 -168.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.406 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -76.0 -45.84 3.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 52.340000000000003 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -8.39 20.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 71.019999999999996 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.616 ' HB3' HD12 ' A' ' 2' ' ' LEU . 14.4 mm-40 -88.41 -37.13 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.219999999999999 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.773 ' HD1' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -87.42 -33.0 19.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 74.340000000000003 111.009 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE2' ' A' ' 7' ' ' TYR . 5.4 m-20 -71.21 -15.43 62.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 72.430000000000007 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.41 -23.61 61.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 110.349 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 20.6 mt-30 -112.57 18.02 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 70.129999999999995 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -59.96 -44.53 97.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 73.109999999999999 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 2.3 m-20 -94.05 -33.76 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 73.319999999999993 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.95 HG13 HG12 ' A' ' 134' ' ' ILE . 37.2 t -74.44 -53.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 61.229999999999997 109.305 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.714 ' O ' HG23 ' A' ' 19' ' ' THR . 7.7 ptm180 -64.1 -18.73 64.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 70.340000000000003 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -74.19 -40.96 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 72.109999999999999 109.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.956 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.4 pp -82.6 -33.19 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.956 ' N ' HD12 ' A' ' 17' ' ' LEU . 13.2 mt -54.7 -33.05 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 15' ' ' ARG . 63.1 p -48.14 -23.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 72.430000000000007 110.416 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 63.9 mmtt -70.36 -40.71 73.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 74.5 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.988 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 2.6 t90 -49.33 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 65.510000000000005 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . -65.11 -13.79 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 75.140000000000001 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 1.2 mtpp -77.82 -26.14 49.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 64.439999999999998 109.33 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 21' ' ' TRP . 25.1 t -66.93 124.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 64.010000000000005 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -109.14 -26.22 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 64.319999999999993 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -126.49 150.4 48.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 74.109999999999999 110.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 HD23 ' A' ' 36' ' ' LEU . 1.7 mm -137.51 114.36 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.298 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.958 ' O ' HD23 ' A' ' 34' ' ' LEU . 55.1 tt0 -142.23 150.92 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.530000000000001 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.29 154.14 28.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 63.350000000000001 109.26 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -134.24 162.59 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.3 tt0 -57.28 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 110.268 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER 76.35 57.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 71.439999999999998 109.297 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.36 -165.63 37.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 70.140000000000001 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -159.57 148.13 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 72.519999999999996 109.294 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.02 111.32 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.430000000000007 110.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.16 168.83 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.401 ' CG ' ' OE1' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -124.37 95.39 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 72.519999999999996 109.329 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.808 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 3.3 t -86.77 129.86 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.44 78.68 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 64.420000000000002 110.306 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.063 HD13 HD12 ' A' ' 90' ' ' ILE . 13.2 mt -56.31 -38.83 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 74.420000000000002 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -142.31 158.54 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 65.049999999999997 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -60.41 -14.56 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 65.310000000000002 110.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.15 21.92 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 109.318 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 66' ' ' TRP . 28.0 m -135.47 152.5 51.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 61.32 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.873 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -134.46 142.93 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.450000000000003 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.873 ' H ' HD22 ' A' ' 45' ' ' LEU . 1.1 tm? -123.02 104.71 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 1.2 tp10 -86.11 91.17 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 71.019999999999996 110.253 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 HG23 ' A' ' 61' ' ' ILE . 2.9 tm? -80.73 119.74 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 71.239999999999995 109.281 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.413 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 5.1 m170 -117.04 117.67 30.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 109.606 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 3.4 tt -97.11 126.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 72.400000000000006 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 18.1 p90 -145.36 154.77 42.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 70.129999999999995 110.958 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' CG ' HD22 ' A' ' 4' ' ' LEU . 52.9 t80 -95.35 158.14 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 64.439999999999998 110.97 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' OD1' HG23 ' A' ' 55' ' ' VAL . 37.2 t0 -137.23 112.36 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.030000000000001 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -71.63 -7.03 45.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 109.59 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 56' ' ' TYR . 54.0 t -58.79 -44.48 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 72.430000000000007 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.62 ' CD1' HG12 ' A' ' 55' ' ' VAL . 25.2 m-85 -121.63 -0.76 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 75.120000000000005 110.97 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.657 ' O ' HG13 ' A' ' 58' ' ' VAL . 29.3 m-70 62.86 60.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 75.0 109.621 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -163.71 164.41 15.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 109.326 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.93 161.26 39.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 71.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.592 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 3.5 p -141.42 170.87 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 71.540000000000006 110.003 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.863 HD12 ' CD2' ' A' ' 137' ' ' TYR . 12.8 mt -131.41 146.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 72.140000000000001 109.31 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 12.6 ttpt -155.54 117.15 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.631 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 39.7 p90 -136.28 163.11 31.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 64.239999999999995 110.944 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.858 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.5 mtm180 -138.1 122.14 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.898 ' O ' HD12 ' A' ' 79' ' ' LEU . 47.4 mt -61.41 138.11 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.349999999999994 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.9 m95 -131.04 155.51 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.97 -1.122 . . . . 63.420000000000002 107.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.812 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -127.64 97.83 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 52.140000000000001 109.993 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.76 124.48 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 72.109999999999999 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -121.72 112.84 18.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 64.450000000000003 109.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.55 30.01 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 63.520000000000003 110.43 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -42.54 -42.82 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.230000000000004 110.326 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.0 mt-10 -104.33 -14.65 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 110.31 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER 81.86 50.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 109.337 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.02 -0.3 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.400000000000006 109.319 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 t 69.17 45.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 60.530000000000001 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.799 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.99 175.74 9.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 72.200000000000003 110.004 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.8 pp -167.48 161.62 13.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 52.299999999999997 109.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -155.33 133.08 11.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.120000000000005 110.285 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.898 HD12 ' O ' ' A' ' 65' ' ' LEU . 14.1 tp -52.3 138.59 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 75.409999999999997 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 67' ' ' SER . 64.2 mt -105.03 141.2 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 73.400000000000006 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -132.57 90.92 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 44.229999999999997 110.391 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -117.19 167.18 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.313 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -56.7 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 71.040000000000006 109.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.33 -38.88 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 65.340000000000003 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.27 -38.12 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.66 -38.29 80.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 73.010000000000005 110.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -68.79 -47.33 66.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.349999999999994 109.341 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.605 ' N ' HD23 ' A' ' 87' ' ' LEU . 1.5 tpt180 -49.27 -22.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 75.439999999999998 110.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.57 -34.81 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 64.409999999999997 110.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.063 HD12 HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -108.77 -42.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 50.25 109.306 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mt -76.66 -178.41 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 41.32 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.636 ' CG ' HD12 ' A' ' 143' ' ' LEU . 54.4 m-80 -154.1 102.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -88.99 -58.75 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 109.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 56.03 -84.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 64.019999999999996 111.053 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.3 t -115.1 19.39 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 73.230000000000004 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 140' ' ' ILE . 14.8 m-85 -113.52 -172.03 2.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.099999999999994 110.982 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -148.29 169.85 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.030000000000001 109.977 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 99' ' ' THR . 14.5 p -152.83 170.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 63.43 109.3 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.523 ' N ' HG22 ' A' ' 98' ' ' VAL . 3.3 m -141.04 117.85 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.200000000000003 110.408 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.003 HD12 ' O ' ' A' ' 110' ' ' TYR . 36.4 tp -110.73 122.49 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.539999999999999 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.409999999999997 109.955 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.0 -0.371 . . . . 72.010000000000005 110.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.632 HG12 HD11 ' A' ' 100' ' ' LEU . 14.3 t -142.43 143.36 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 43.240000000000002 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 1.003 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.1 m-85 -136.31 154.49 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 65.299999999999997 110.97 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.783 ' CD1' HD13 ' A' ' 100' ' ' LEU . 12.9 m-85 -115.65 77.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 73.019999999999996 111.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 98.1 m-85 -67.57 110.28 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 64.140000000000001 111.018 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.8 mt -74.42 138.65 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -58.15 112.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.291 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -133.78 21.33 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 64.530000000000001 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.37 -46.3 49.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 108.311 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.968 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 9.4 m-20 -96.03 54.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 73.409999999999997 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.41 HG21 ' HD2' ' A' ' 59' ' ' PRO . 81.9 m -58.46 -50.18 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 110.418 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -62.5 -28.71 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.329999999999998 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.968 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -86.8 -15.38 39.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 117' ' ' ASP . 20.2 m-20 -83.57 -54.26 5.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 123' ' ' GLY . 9.2 p -121.77 -54.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 52.119999999999997 109.341 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 37.72 35.4 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 52.299999999999997 110.939 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 t -68.42 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 72.450000000000003 110.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.92 143.34 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 54.439999999999998 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.753 HG13 HD13 ' A' ' 2' ' ' LEU . 58.8 t -63.78 -13.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 12.2 mt-10 -65.45 -67.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.239999999999995 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 46.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.030000000000001 109.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -79.28 -38.27 35.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 75.030000000000001 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.79 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.3 mm? -71.77 -21.52 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 p -87.0 -45.18 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 51.439999999999998 110.414 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.5 tpt180 -73.7 -50.99 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.019999999999996 110.256 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.663 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 77.5 t90 -47.49 -57.39 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 72.230000000000004 107.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.95 HG12 HG13 ' A' ' 14' ' ' VAL . 7.6 tp -60.7 -53.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.219999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 134' ' ' ILE . 35.7 t -54.94 -15.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -90.93 -74.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 70.129999999999995 109.259 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.863 ' CD2' HD12 ' A' ' 61' ' ' ILE . 28.3 m-85 -47.87 -41.31 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.988 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 8.7 tp -50.11 -37.11 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -59.09 -32.17 69.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 64.25 110.324 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 92' ' ' ASN . 59.7 mt -66.22 -10.05 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 64.140000000000001 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.7 m-85 -112.57 -38.72 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 111.023 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 9.8 t70 -147.76 107.68 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.636 HD12 ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -83.92 3.32 34.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.98 -9.84 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 73.209999999999994 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.81 104.65 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 53.299999999999997 110.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.67 103.61 53.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 51.240000000000002 109.267 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.567 ' HB2' HD22 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 55.549999999999997 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.514 0.197 . . . . 73.230000000000004 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.745 ' HB2' HG22 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -50.57 113.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 71.040000000000006 109.338 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.518 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 27.4 p -71.87 -162.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 51.200000000000003 110.372 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.854 HD23 ' CD2' ' A' ' 52' ' ' TYR . 1.6 tm? -75.92 -45.07 3.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.0 -6.68 18.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 52.119999999999997 110.978 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' N ' ' A' ' 3' ' ' THR . 30.1 mt-10 -89.12 -38.71 14.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.25 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.919 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -78.53 -32.09 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.010000000000005 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -68.71 -20.57 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 73.140000000000001 109.318 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.53 -25.88 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 74.530000000000001 110.287 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' NE2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -117.25 22.22 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.329999999999998 110.266 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.919 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -67.33 -45.89 49.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.020000000000003 109.249 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.02 0.17 9.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 63.210000000000001 110.996 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -89.1 -31.66 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 64.200000000000003 109.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.755 ' CG1' HD13 ' A' ' 134' ' ' ILE . 36.3 t -78.25 -52.06 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.340000000000003 109.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 19' ' ' THR . 17.1 ptt85 -63.31 -18.16 63.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -77.58 -41.13 39.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 32.399999999999999 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.963 HD13 ' HB3' ' A' ' 147' ' ' PRO . 2.0 pp -83.45 -25.42 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.519999999999996 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.684 HD21 HD11 ' A' ' 134' ' ' ILE . 12.8 mt -63.52 -24.45 67.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 15' ' ' ARG . 79.8 p -53.75 -25.1 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 53.350000000000001 110.407 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.86 -33.36 75.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 62.25 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.682 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.1 t90 -54.19 125.06 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 108.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.21 -12.47 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 64.430000000000007 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HB2' HG13 ' A' ' 38' ' ' VAL . 17.9 mtpt -80.0 -26.35 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 61.329999999999998 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 38' ' ' VAL . 49.0 t -68.71 126.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.019999999999996 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' CD ' ' CG ' ' A' ' 39' ' ' ARG . 3.4 mt-10 -107.54 -34.87 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 63.439999999999998 110.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -124.88 133.58 53.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 110.352 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.4 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.0 mm -120.83 105.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 63.149999999999999 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' O ' HD23 ' A' ' 34' ' ' LEU . 51.1 tt0 -133.38 145.27 50.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 72.319999999999993 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.44 157.88 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.310000000000002 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.4 m -134.41 160.05 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 64.510000000000005 109.242 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 14.5 tt0 -57.54 90.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 52.399999999999999 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER 81.35 55.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 164.36 -169.92 39.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.981 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -157.56 139.75 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 63.009999999999998 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.412 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -121.81 113.01 19.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 73.319999999999993 110.308 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.804 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.32 147.92 43.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 109.292 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -108.75 95.12 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 74.049999999999997 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 24' ' ' VAL . 4.1 t -88.74 127.97 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 64.340000000000003 109.35 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.808 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -90.03 79.79 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.219999999999999 110.256 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.859 HD13 ' CB ' ' A' ' 46' ' ' LEU . 6.1 mp -58.39 -32.12 68.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.439999999999998 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.4 ttmt -149.62 154.73 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 63.329999999999998 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -59.61 -15.02 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.340000000000003 110.38 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -128.33 15.24 6.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.289 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.583 HG23 HD12 ' A' ' 80' ' ' LEU . 8.0 m -135.9 137.37 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.439999999999998 110.41 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.997 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -129.86 133.06 46.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 63.509999999999998 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.997 ' N ' HD12 ' A' ' 45' ' ' LEU . 2.7 tm? -110.97 108.83 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 61.200000000000003 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.555 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.8 tt0 -87.29 96.3 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 64.230000000000004 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.904 HD12 ' CE2' ' A' ' 141' ' ' PHE . 2.4 tt -88.98 131.03 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.555 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -133.32 111.81 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.030000000000001 109.623 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.1 tt -85.77 130.17 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 72.209999999999994 109.3 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.4 p90 -144.42 128.94 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 64.200000000000003 110.96 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.854 ' CD2' HD23 ' A' ' 4' ' ' LEU . 84.1 t80 -71.57 150.65 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 74.310000000000002 111.029 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.845 ' OD1' HG23 ' A' ' 55' ' ' VAL . 42.0 t0 -127.86 126.64 41.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 42.450000000000003 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -81.65 3.66 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 75.519999999999996 109.622 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.845 HG23 ' OD1' ' A' ' 53' ' ' ASP . 77.3 t -67.23 -47.56 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.040000000000006 109.298 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.613 ' CD1' HG12 ' A' ' 55' ' ' VAL . 42.2 m-85 -122.77 2.76 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.239999999999995 110.976 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 64.82 47.49 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 74.319999999999993 109.636 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG21 ' HB ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -148.2 164.06 23.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.335 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 52' ' ' TYR . 18.2 Cg_endo -74.95 149.95 37.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 52.299999999999997 110.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 2.1 m -114.97 172.68 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 53.399999999999999 109.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 137' ' ' TYR . 9.5 mt -137.75 127.31 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 42.200000000000003 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.07 118.83 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.450000000000003 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.804 ' CD1' HD21 ' A' ' 46' ' ' LEU . 28.9 p90 -129.77 162.74 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.955 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.837 ' HB3' HD11 ' A' ' 79' ' ' LEU . 7.4 mtp180 -139.88 121.89 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 110.312 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 79' ' ' LEU . 66.8 mt -69.2 138.85 54.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 72.230000000000004 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' THR . 94.4 m95 -127.62 162.87 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.040000000000006 108.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -133.63 97.74 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 62.210000000000001 109.957 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.808 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.6 125.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 72.420000000000002 109.265 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -122.63 113.09 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 72.430000000000007 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.32 29.55 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -42.82 -43.18 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.2 mt-10 -103.43 -14.84 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.48 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 44.130000000000003 109.279 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.67 2.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 74.010000000000005 109.284 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t 67.46 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 75.400000000000006 109.971 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.764 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.68 175.28 10.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 64.510000000000005 109.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.2 pp -166.88 164.28 16.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.118 . . . . 75.519999999999996 109.294 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 1.6 tpm_? -155.36 140.59 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 75.319999999999993 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.837 HD11 ' HB3' ' A' ' 64' ' ' ARG . 14.4 tp -58.21 138.55 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 61.310000000000002 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 67' ' ' SER . 61.4 mt -104.88 154.77 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 62.299999999999997 109.269 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -149.33 119.92 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 72.450000000000003 110.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -143.86 165.04 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 74.519999999999996 109.314 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -57.24 -171.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.955 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -47.39 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 65.409999999999997 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -66.28 -34.28 77.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 73.450000000000003 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.97 -35.14 74.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 62.130000000000003 110.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.049 HD21 HD12 ' A' ' 91' ' ' LEU . 1.3 tt -73.64 -51.91 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.030000000000001 109.245 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.557 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.71 -24.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.150000000000006 110.328 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -45.28 -25.85 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 62.219999999999999 110.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.474 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -117.1 -42.79 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 72.230000000000004 109.327 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.049 HD12 HD21 ' A' ' 87' ' ' LEU . 28.9 mt -75.23 178.88 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.458 ' CG ' HD12 ' A' ' 143' ' ' LEU . 70.7 m-80 -140.58 95.66 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.310000000000002 109.32 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.632 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.61 -58.07 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.519999999999996 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.88 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 71.219999999999999 111.035 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LEU . 3.5 t -113.25 -21.04 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 64.430000000000007 110.363 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.436 ' CG ' HD11 ' A' ' 140' ' ' ILE . 6.1 m-85 -62.11 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 63.530000000000001 111.007 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.16 168.99 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.25 110.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.532 HG22 ' H ' ' A' ' 99' ' ' THR . 11.5 p -153.41 171.42 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 75.129999999999995 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.532 ' H ' HG22 ' A' ' 98' ' ' VAL . 2.8 m -146.38 110.3 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 34.039999999999999 110.375 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.988 HD12 ' O ' ' A' ' 110' ' ' TYR . 19.1 tp -98.67 122.75 42.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 61.25 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 72.109999999999999 109.991 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.961 -0.385 . . . . 72.450000000000003 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.837 HG12 HD11 ' A' ' 100' ' ' LEU . 2.3 t -144.12 141.58 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 74.549999999999997 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.988 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -132.66 151.55 51.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 110.991 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.958 ' CD1' HD13 ' A' ' 100' ' ' LEU . 51.6 m-85 -108.4 79.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.140000000000001 110.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 96.1 m-85 -68.96 114.78 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 71.340000000000003 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 61' ' ' ILE . 6.0 mt -77.69 140.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -60.36 114.17 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 109.249 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -145.82 28.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 16.8 p -76.18 -46.48 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.400000000000006 108.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' ALA . 4.9 m-20 -96.99 42.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.219999999999999 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.473 ' HB ' HG21 ' A' ' 58' ' ' VAL . 30.6 m -45.5 -25.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 110.373 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.93 -43.54 74.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 41.350000000000001 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' ASP . . . -81.68 -10.82 59.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 62.409999999999997 109.334 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.75 ' HB3' HD11 ' A' ' 136' ' ' LEU . 4.2 m-20 -74.5 -69.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 64.439999999999998 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.938 ' HB ' HD13 ' A' ' 136' ' ' LEU . 4.8 p -103.65 -50.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 72.5 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.473 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 36.97 48.43 1.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 44.140000000000001 111.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.4 ' CB ' ' HG2' ' A' ' 132' ' ' ARG . 7.6 p -91.86 -75.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 73.420000000000002 109.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -151.78 124.88 8.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 74.540000000000006 109.283 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.745 HG22 ' HB2' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -53.69 -28.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 72.530000000000001 109.296 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -68.41 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 71.299999999999997 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -95.22 46.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.626 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.575 ' CE1' HG13 ' A' ' 122' ' ' VAL . 2.0 t80 -84.33 -33.66 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 73.120000000000005 110.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.678 ' O ' HG22 ' A' ' 134' ' ' ILE . 4.3 mm? -67.06 -28.22 68.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 65.150000000000006 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p -86.55 -34.92 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.240000000000002 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' CB ' ' A' ' 124' ' ' SER . 9.9 tpt180 -85.35 -16.45 39.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 78.6 t90 -87.18 -47.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.013 -1.106 . . . . 53.329999999999998 108.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.962 HG21 HD21 ' A' ' 17' ' ' LEU . 5.8 tp -56.54 -47.9 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.319999999999993 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.537 ' HA ' HG22 ' A' ' 138' ' ' ILE . 3.5 t -73.12 -0.34 13.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.349999999999994 109.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.938 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.99 -41.32 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 74.439999999999998 109.276 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.777 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -94.0 -47.39 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 64.310000000000002 111.025 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.682 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 6.9 tp -44.5 -26.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.040000000000006 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 137' ' ' TYR . 47.0 mtp180 -64.28 -43.54 94.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 75.200000000000003 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 137' ' ' TYR . 73.9 mt -57.47 -15.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.209999999999994 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.904 ' CE2' HD12 ' A' ' 48' ' ' LEU . 5.2 m-85 -106.32 -34.84 7.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 63.109999999999999 110.963 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -148.48 108.69 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 73.239999999999995 109.325 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.458 HD12 ' CG ' ' A' ' 92' ' ' ASN . 6.6 mt -87.9 3.64 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -108.5 -16.17 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 73.200000000000003 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.495 ' HZ ' HD12 ' A' ' 17' ' ' LEU . 70.1 t80 -79.13 110.31 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.25 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.54 116.31 57.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.439999999999998 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.963 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 73.010000000000005 111.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.516 0.198 . . . . 63.310000000000002 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.717 HD21 ' HB2' ' A' ' 7' ' ' TYR . 17.0 tp -68.7 114.69 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 66.0 p -79.79 -172.83 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 53.420000000000002 110.42 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -76.46 -45.43 3.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 109.299 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.07 -8.43 19.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 60.030000000000001 110.947 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB3' HD12 ' A' ' 2' ' ' LEU . 11.2 mm-40 -88.28 -39.35 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 75.439999999999998 110.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.931 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.15 -35.02 20.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 70.150000000000006 110.956 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -64.39 -17.82 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 73.540000000000006 109.319 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -74.16 -27.17 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 63.329999999999998 110.334 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.1 mt-30 -109.39 12.45 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 74.439999999999998 110.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.931 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.8 OUTLIER -60.56 -46.62 97.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 109.358 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.512 1.796 . . . . 74.549999999999997 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.7 m-20 -93.23 -34.29 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 72.319999999999993 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.984 ' O ' HD23 ' A' ' 18' ' ' LEU . 90.7 t -75.71 -39.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 60.240000000000002 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' THR . 40.9 ptt85 -73.82 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -73.14 -46.39 51.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.510000000000005 110.015 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 HD22 ' A' ' 18' ' ' LEU . 4.6 pp -74.24 -26.76 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 74.430000000000007 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.984 HD23 ' O ' ' A' ' 14' ' ' VAL . 1.7 mm? -58.67 -31.15 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 109.347 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 15' ' ' ARG . 27.2 p -61.62 -13.42 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 63.030000000000001 110.381 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -82.82 -23.58 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 72.420000000000002 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.73 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.9 t90 -61.18 128.31 35.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 108.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -15.67 37.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 70.230000000000004 109.305 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.628 ' NZ ' HD22 ' A' ' 40' ' ' LEU . 1.4 mtpm? -85.2 -26.2 26.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.558 HG23 ' CE3' ' A' ' 21' ' ' TRP . 35.5 t -69.11 113.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.010000000000005 109.328 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.24 -40.43 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 27' ' ' ILE . 22.3 ttt85 -124.96 156.57 37.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.916 ' CD1' HD23 ' A' ' 36' ' ' LEU . 2.2 mm -141.17 109.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 64.239999999999995 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.514 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 47.6 tt0 -127.69 161.48 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 72.019999999999996 110.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 4.5 p30 -118.2 161.96 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 73.340000000000003 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.5 m -139.46 179.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.099999999999994 109.267 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 6.7 tt0 -76.38 93.69 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.120000000000005 110.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' OD2' HD21 ' A' ' 4' ' ' LEU . 2.0 t70 80.6 45.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 170.26 -171.83 43.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 70.540000000000006 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.564 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -149.87 149.99 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 74.319999999999993 109.313 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' NE2' ' HB3' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -126.4 116.37 21.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 110.256 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.956 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.29 146.67 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 72.109999999999999 109.286 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.89 95.22 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.314 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.894 HG12 ' CD2' ' A' ' 40' ' ' LEU . 96.0 t -82.78 106.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.510000000000005 110.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.894 ' CD2' HG12 ' A' ' 38' ' ' VAL . 1.2 mm? -57.69 -28.45 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.019999999999996 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -153.09 163.75 39.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.420000000000002 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -63.05 -12.12 24.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 110.378 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.7 10.54 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 74.510000000000005 109.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.433 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 36.2 m -123.48 126.67 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.889 HD11 ' HG3' ' A' ' 47' ' ' GLU . 1.5 tm? -112.83 134.47 54.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.591 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -125.75 106.09 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 73.400000000000006 109.306 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.889 ' HG3' HD11 ' A' ' 45' ' ' LEU . 21.6 mt-10 -81.89 112.43 19.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 62.119999999999997 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.807 HD21 HG23 ' A' ' 61' ' ' ILE . 1.9 tm? -96.58 122.23 39.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 75.209999999999994 109.256 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 62' ' ' LYS . 11.2 m170 -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 73.420000000000002 109.611 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -122.98 122.24 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 63.439999999999998 109.252 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -142.12 174.01 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -104.84 146.64 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 75.230000000000004 111.034 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -115.38 111.77 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.284 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -81.02 3.54 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 109.618 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 56' ' ' TYR . 13.1 m -81.88 -37.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 74.420000000000002 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.616 ' CD2' HG23 ' A' ' 55' ' ' VAL . 36.4 m-85 -122.61 -1.91 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.040000000000006 111.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.7 m-70 63.12 50.69 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.537 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -153.46 163.58 23.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 73.349999999999994 109.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.563 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.98 160.48 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 65.329999999999998 111.06 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 33.5 t -136.82 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.239999999999995 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.807 HG23 HD21 ' A' ' 48' ' ' LEU . 10.9 mt -137.61 131.23 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 109.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.49 ' HZ2' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -144.01 134.53 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.322 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 17.3 p90 -148.57 159.98 43.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 71.340000000000003 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.789 ' CB ' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -131.87 113.17 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.420000000000002 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.558 HD23 ' HG ' ' A' ' 46' ' ' LEU . 66.7 mt -53.42 141.1 25.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 53.020000000000003 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.84 ' CZ2' HD12 ' A' ' 79' ' ' LEU . 96.3 m95 -124.12 160.82 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.329999999999998 108.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.879 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.86 97.7 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 72.120000000000005 109.961 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.47 125.44 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.278 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -122.51 112.62 18.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.49 34.57 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 64.200000000000003 110.384 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.79 -44.83 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 75.310000000000002 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 74' ' ' ILE . 3.6 mt-10 -103.56 -12.15 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 61.399999999999999 110.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.6 t70 81.28 51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 109.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 1.32 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 64.040000000000006 109.335 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 t 66.7 47.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 55.310000000000002 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.792 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -87.18 175.45 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 53.409999999999997 109.992 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.511 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -167.57 166.08 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.109999999999999 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -155.38 139.61 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 71.409999999999997 110.365 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.84 HD12 ' CZ2' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -64.67 131.14 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 45.43 109.344 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.879 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.0 mt -98.99 156.04 17.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.685 HG21 HG21 ' A' ' 109' ' ' VAL . 1.6 p -141.8 98.32 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 110.435 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -129.53 167.71 17.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 72.230000000000004 109.308 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -72.68 -168.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 75.019999999999996 110.008 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' LEU . 8.5 m-20 -72.29 -54.83 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.297 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 m -38.76 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 74.25 110.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.824 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.3 mt-10 -89.38 -44.19 10.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 65.109999999999999 110.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' ASP . 7.7 tt -58.38 -56.25 24.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 71.030000000000001 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -55.17 -17.8 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 50.130000000000003 110.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.758 ' HB3' HD13 ' A' ' 90' ' ' ILE . 3.3 t -57.51 -28.03 63.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 42.409999999999997 109.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 89' ' ' SER . 0.0 OUTLIER -120.2 -40.14 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.334 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 5.4 mt -83.71 160.75 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.230000000000004 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 140' ' ' ILE . 23.1 m120 -117.54 99.12 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 65.540000000000006 109.363 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -88.6 -57.76 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 74.519999999999996 109.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.73 -93.72 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 64.409999999999997 110.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 t -103.27 -14.96 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 54.310000000000002 110.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -75.21 172.23 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 74.340000000000003 111.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.492 ' CB ' ' ND2' ' A' ' 114' ' ' ASN . 2.5 m -138.21 162.23 34.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 63.140000000000001 110.014 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 113' ' ' ILE . 3.1 t -138.88 161.2 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 53.229999999999997 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 8.8 m -131.83 102.93 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 110.389 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.001 HD13 ' CD1' ' A' ' 111' ' ' TYR . 36.9 tp -88.18 122.91 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 60.420000000000002 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 65.540000000000006 110.003 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.025 -0.361 . . . . 54.32 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.685 HG21 HG21 ' A' ' 81' ' ' THR . 2.0 t -141.29 132.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.340000000000003 109.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.988 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -118.05 154.33 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 110.997 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 1.001 ' CD1' HD13 ' A' ' 100' ' ' LEU . 65.2 m-85 -112.81 82.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.010000000000005 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 90.3 m-85 -73.83 109.38 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 61.109999999999999 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.616 ' HA ' HG22 ' A' ' 98' ' ' VAL . 5.9 mt -60.2 142.37 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.409999999999997 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.492 ' ND2' ' CB ' ' A' ' 97' ' ' SER . 3.4 m-20 -61.47 107.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 72.030000000000001 109.322 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 9.3 t30 -136.55 92.7 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 64.409999999999997 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.06 -55.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 52.25 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 3.1 m-20 -108.43 75.13 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 74.109999999999999 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.828 HG22 ' OH ' ' A' ' 129' ' ' TYR . 2.3 m -83.14 -58.55 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 63.399999999999999 110.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -50.53 -26.38 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 72.299999999999997 109.326 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.71 -28.45 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 61.43 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 118' ' ' THR . 4.0 m-20 -86.76 -70.13 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.340000000000003 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.903 HG22 HD13 ' A' ' 136' ' ' LEU . 57.8 t -62.83 -65.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 62.299999999999997 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.09 -23.27 15.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 53.210000000000001 110.97 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.638 ' H ' HG12 ' A' ' 122' ' ' VAL . 50.1 m -38.02 140.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 45.32 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.5 174.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 61.009999999999998 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.583 HG13 HD13 ' A' ' 2' ' ' LEU . 23.9 t -84.69 -8.19 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 71.409999999999997 109.316 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.52 -67.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 110.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -112.79 47.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 75.400000000000006 109.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.828 ' OH ' HG22 ' A' ' 118' ' ' THR . 4.6 t80 -75.92 -43.21 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 65.519999999999996 110.961 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.785 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.5 mm? -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 64.329999999999998 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.1 p -89.47 -51.16 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 70.129999999999995 110.43 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -16.96 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 54.43 110.297 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.57 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 65.4 t90 -83.61 -61.8 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.977 -1.119 . . . . 63.509999999999998 107.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -56.42 -55.31 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 74.349999999999994 109.361 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 134' ' ' ILE . 30.2 t -55.3 -17.33 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 73.239999999999995 109.96 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.903 HD13 HG22 ' A' ' 122' ' ' VAL . 2.6 tt -91.97 -34.37 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.219999999999999 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.69 ' HB3' HD13 ' A' ' 61' ' ' ILE . 11.4 m-85 -94.32 -2.4 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 75.310000000000002 111.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.73 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.0 tp -84.4 -20.57 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 75.530000000000001 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -68.64 -7.39 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 92' ' ' ASN . 17.1 mt -88.98 -10.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 69.9 m-85 -119.58 -32.52 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 71.049999999999997 111.029 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 12.6 t0 -147.11 121.73 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 53.240000000000002 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.429 HD12 ' OD1' ' A' ' 92' ' ' ASN . 2.6 mt -98.16 3.1 49.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.84 -11.99 12.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 60.439999999999998 109.319 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.49 ' CE2' HG12 ' A' ' 138' ' ' ILE . 28.9 t80 -72.34 113.0 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 72.430000000000007 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.52 109.66 61.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.458 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.462 1.769 . . . . 74.409999999999997 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.477 0.179 . . . . 64.140000000000001 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 7' ' ' TYR . 10.2 tp -49.98 101.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.5 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.508 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 62.9 p -75.02 -165.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.407 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.3 tm? -76.85 -45.47 3.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 64.329999999999998 109.277 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.99 -10.26 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 71.209999999999994 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.559 ' HB3' HD12 ' A' ' 2' ' ' LEU . 13.6 mm-40 -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 72.230000000000004 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.846 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -87.28 -20.26 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 110.976 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' ND2' HD11 ' A' ' 4' ' ' LEU . 3.6 m-20 -78.02 -15.07 59.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 72.030000000000001 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.51 -32.01 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 72.430000000000007 110.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -100.93 11.45 39.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 75.209999999999994 110.339 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -58.48 -45.58 99.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 64.209999999999994 109.301 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.93 0.26 9.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 72.030000000000001 111.035 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 m-20 -93.76 -35.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 130' ' ' LEU . 25.2 t -75.57 -48.0 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 73.400000000000006 109.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HD2' HD21 ' A' ' 34' ' ' LEU . 3.8 ptm180 -65.9 -18.91 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 19' ' ' THR . 27.4 t -74.93 -46.6 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 110.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.961 HD13 ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -77.84 -24.69 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -59.28 -18.21 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 16' ' ' SER . 70.4 p -67.25 -9.82 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 71.239999999999995 110.366 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -81.9 -14.6 55.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 62.25 109.247 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.756 ' CZ3' HG21 ' A' ' 38' ' ' VAL . 1.6 t90 -75.03 128.56 35.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 107.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.16 -15.02 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.62 -13.42 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' CE3' ' A' ' 21' ' ' TRP . 24.2 t -73.97 128.04 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 64.420000000000002 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -110.69 -28.08 8.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 71.219999999999999 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -131.64 141.28 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 70.510000000000005 110.276 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -130.2 104.8 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 63.43 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.96 139.32 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 73.099999999999994 110.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.541 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.5 p-10 -99.54 163.84 12.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 54.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' CA ' ' A' ' 34' ' ' LEU . 34.3 m -140.76 165.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.519999999999996 109.336 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -90.73 31.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -164.76 30.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 109.298 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.92 -120.31 2.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -163.21 150.43 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 71.510000000000005 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.78 109.68 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 110.29 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.21 170.32 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 109.298 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 70.2 m-20 -129.08 94.89 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.319999999999993 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.756 HG21 ' CZ3' ' A' ' 21' ' ' TRP . 9.0 t -85.67 148.53 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.230000000000004 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.15 79.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 70.340000000000003 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.097 HD13 HD12 ' A' ' 90' ' ' ILE . 22.4 mt -53.15 -42.39 66.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 5.2 ttmm -136.46 156.69 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 73.340000000000003 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.53 -16.96 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 52.240000000000002 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.03 17.92 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 73.109999999999999 109.302 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 66' ' ' TRP . 27.4 m -132.3 148.1 52.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 72.409999999999997 110.405 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.779 ' C ' HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -128.78 136.29 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 54.539999999999999 109.281 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -116.22 97.65 6.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.541 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.2 tt0 -78.19 101.5 7.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.775 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -94.93 130.79 41.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 71.120000000000005 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.97 113.81 13.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 62.439999999999998 109.673 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 8.8 tt -87.33 135.02 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 51.420000000000002 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.0 p90 -153.4 133.08 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.510000000000005 110.97 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -83.04 154.13 24.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 75.530000000000001 110.982 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 48.4 t0 -116.15 137.62 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 72.530000000000001 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -88.29 3.89 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 63.530000000000001 109.577 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -86.47 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 71.230000000000004 109.249 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 75.7 m-85 -91.01 -11.83 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.967 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 39.0 m-70 65.53 43.39 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 61.100000000000001 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -147.76 167.42 13.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 64.310000000000002 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.95 153.41 41.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.791 . . . . 75.019999999999996 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -126.12 173.52 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 70.010000000000005 110.01 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.558 ' CD1' ' CG ' ' A' ' 137' ' ' TYR . 12.2 mt -138.01 127.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 122.53 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.329999999999998 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.806 ' CD1' HD21 ' A' ' 46' ' ' LEU . 54.9 p90 -138.34 152.9 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 71.420000000000002 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.699 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.0 mtm180 -121.54 121.25 37.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.219999999999999 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.13 HD11 HD13 ' A' ' 87' ' ' LEU . 34.5 mt -65.47 143.8 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 64.310000000000002 109.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.615 ' O ' HG23 ' A' ' 44' ' ' THR . 91.5 m95 -137.8 155.91 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 71.340000000000003 107.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.717 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -127.2 97.57 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.209999999999994 109.976 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.2 123.19 20.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 109.332 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -119.88 110.48 16.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.5 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.77 33.4 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 74.239999999999995 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -44.32 -43.38 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 110.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -104.17 -12.99 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER 81.71 52.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 75.540000000000006 109.274 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.65 -5.01 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 73.109999999999999 109.28 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t 73.82 41.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.439999999999998 110.012 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.81 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -78.92 175.08 10.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 74.120000000000005 110.037 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.5 pp -168.34 162.6 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.530000000000001 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -155.47 130.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 110.322 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.2 tp -49.53 134.04 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 73.310000000000002 109.286 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 67' ' ' SER . 36.7 mt -100.02 162.32 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 75.430000000000007 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -159.45 112.76 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 65.510000000000005 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -143.05 166.99 23.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 43.140000000000001 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -55.88 -173.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 72.109999999999999 109.99 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -80.58 -38.47 29.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 65.140000000000001 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -70.45 -32.81 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 63.240000000000002 109.997 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.531 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.2 mt-10 -74.35 -32.16 62.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.13 HD13 HD11 ' A' ' 65' ' ' LEU . 8.1 tp -82.55 -33.55 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 72.420000000000002 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -54.53 -19.92 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 63.229999999999997 110.274 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -55.1 -23.91 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 110.037 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.097 HD12 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -116.12 -37.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 72.299999999999997 109.292 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 27.5 mt -84.66 177.86 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 75.439999999999998 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.0 m-80 -145.39 97.61 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.626 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.7 -58.32 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 64.349999999999994 109.312 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.62 -82.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LEU . 1.2 t -110.44 -23.23 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 61.399999999999999 110.427 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.63 -169.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 111.021 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -149.48 167.11 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 72.329999999999998 109.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 113' ' ' ILE . 12.1 p -151.44 156.74 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -134.79 123.04 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.129999999999995 110.401 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 101' ' ' SER . 4.8 tt -92.22 135.79 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 64.040000000000006 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.885 ' N ' HD23 ' A' ' 100' ' ' LEU . 26.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 41.420000000000002 110.004 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.958 -0.386 . . . . 72.140000000000001 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.631 ' HB ' HD21 ' A' ' 79' ' ' LEU . 9.9 t -149.16 159.45 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.28 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -152.62 168.62 25.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 75.200000000000003 110.997 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.832 ' CE2' HD12 ' A' ' 100' ' ' LEU . 74.1 m-85 -122.6 111.96 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 111.034 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -90.85 110.83 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 73.099999999999994 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.533 ' HA ' HG23 ' A' ' 98' ' ' VAL . 3.6 mt -74.38 142.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 109.291 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.79 113.12 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 62.32 109.281 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -134.56 27.86 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 71.519999999999996 109.344 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.55 -37.89 13.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 73.400000000000006 108.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.27 38.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.229999999999997 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.653 HG22 ' OH ' ' A' ' 129' ' ' TYR . 3.6 m -82.99 -56.86 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 33.140000000000001 110.412 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 123' ' ' GLY . 2.9 p30 -50.8 -26.2 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 64.030000000000001 109.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.73 -28.4 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 40.409999999999997 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 118' ' ' THR . 36.1 m-20 -86.47 -69.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.284 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.766 ' HB ' HD13 ' A' ' 136' ' ' LEU . 1.3 p -63.75 -49.59 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 45.409999999999997 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 126.65 -163.9 20.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 64.439999999999998 111.044 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' VAL . 64.0 p -109.34 -23.07 11.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 65.219999999999999 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 64.400000000000006 109.258 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.768 HG23 HD13 ' A' ' 2' ' ' LEU . 1.7 p -77.02 -7.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -50.6 -67.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 53.32 110.27 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.3 m-70 -125.95 46.73 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.519999999999996 109.596 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.653 ' OH ' HG22 ' A' ' 118' ' ' THR . 4.0 t80 -70.09 -37.15 75.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.844 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.7 mm? -66.7 -27.9 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 64.329999999999998 109.258 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -90.4 -32.02 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 71.430000000000007 110.377 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 128' ' ' HIS . 28.6 mtt180 -86.43 -16.27 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 75.040000000000006 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 83.5 t90 -88.38 -46.29 9.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.989 -1.115 . . . . 65.019999999999996 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.809 HG21 HD21 ' A' ' 17' ' ' LEU . 7.5 tp -56.17 -50.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 70.230000000000004 109.334 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.507 ' HA ' HG22 ' A' ' 138' ' ' ILE . 8.6 t -71.46 -1.35 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 75.439999999999998 110.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.766 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.57 -42.91 7.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 70.510000000000005 109.339 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.635 ' C ' ' CD1' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -91.55 -47.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.109999999999999 110.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 134' ' ' ILE . 7.3 tp -44.51 -31.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 71.299999999999997 109.295 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.61 -42.1 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 73.239999999999995 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 65.6 mt -58.9 -14.29 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.775 ' CE2' HD12 ' A' ' 48' ' ' LEU . 7.2 m-85 -108.85 -32.68 7.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 73.519999999999996 111.001 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.514 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -148.76 107.17 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.209999999999994 109.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -86.95 2.71 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 52.030000000000001 109.299 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -112.36 -16.27 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 70.409999999999997 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.441 ' HZ ' HD12 ' A' ' 17' ' ' LEU . 63.3 t80 -72.64 112.4 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 111.016 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 116.58 56.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.030000000000001 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.961 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 65.420000000000002 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.505 0.193 . . . . 51.210000000000001 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 7' ' ' TYR . 11.4 tp -51.83 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.485 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 81.1 p -74.83 -170.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 54.340000000000003 110.392 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.34 -46.05 4.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 55.329999999999998 109.285 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.01 -7.5 19.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 74.109999999999999 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 2' ' ' LEU . 13.7 mm-40 -88.59 -38.57 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.867 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -87.5 -36.49 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 71.420000000000002 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.584 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -65.93 -17.37 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 109.271 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -74.4 -24.11 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.9 mt-30 -115.27 16.39 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 52.43 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.867 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -62.33 -46.56 90.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 70.340000000000003 109.332 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 75.340000000000003 110.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.4 m-20 -90.83 -34.04 15.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 65.25 109.322 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.958 ' CG1' HD13 ' A' ' 134' ' ' ILE . 69.3 t -74.88 -46.73 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 73.120000000000005 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.768 ' HA ' HD22 ' A' ' 18' ' ' LEU . 20.6 ptt180 -67.48 -19.15 65.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.804 ' O ' HG23 ' A' ' 19' ' ' THR . 14.4 t -68.24 -62.32 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 110.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.864 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.0 pp -61.15 -24.22 66.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.109999999999999 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.863 HD23 HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -55.34 -24.24 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.150000000000006 109.282 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 16' ' ' SER . 63.3 p -55.97 -17.44 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 74.5 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 26.5 mmmt -78.24 -37.89 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.2 t90 -52.59 112.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 74.340000000000003 107.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.35 48.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 65.140000000000001 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -77.47 -24.65 50.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' CD2' ' A' ' 21' ' ' TRP . 22.5 t -68.88 111.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 61.210000000000001 109.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -98.13 -21.77 16.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 50.340000000000003 110.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.42 145.16 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.25 110.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.693 HD13 HD23 ' A' ' 36' ' ' LEU . 1.7 mm -132.84 112.51 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.711 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.9 tt0 -146.97 156.57 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 71.120000000000005 110.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 30' ' ' VAL . 7.5 t70 -119.1 166.76 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 71.349999999999994 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.441 ' N ' ' OD2' ' A' ' 29' ' ' ASP . 2.4 m -139.36 179.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 54.340000000000003 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 20.0 tt0 -73.42 92.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 78.27 47.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 61.32 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.431 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 172.97 -166.52 39.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 62.149999999999999 111.02 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -156.54 142.95 18.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 72.450000000000003 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -127.79 111.15 13.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 74.349999999999994 110.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.863 HD21 HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -119.36 170.62 8.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 75.209999999999994 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.796 ' OD2' HD21 ' A' ' 45' ' ' LEU . 11.3 t70 -117.18 98.43 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 65.519999999999996 109.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.67 HG12 HD12 ' A' ' 40' ' ' LEU . 41.9 t -89.03 114.48 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 73.230000000000004 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -89.5 95.4 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 110.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 HG12 ' A' ' 38' ' ' VAL . 8.8 mp -75.0 -47.77 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 109.293 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 6.4 ttmt -137.97 154.62 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 55.149999999999999 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 -14.38 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.439999999999998 110.395 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -125.56 18.32 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 60.340000000000003 109.307 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -146.14 132.86 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 54.409999999999997 110.389 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -126.44 131.63 51.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 73.019999999999996 109.288 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.994 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.6 tm? -116.95 112.78 21.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 73.200000000000003 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.568 ' OE2' ' CD1' ' A' ' 66' ' ' TRP . 1.4 mp0 -85.53 137.96 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.140000000000001 110.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.689 HD23 ' CE2' ' A' ' 141' ' ' PHE . 2.0 tm? -116.6 116.64 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 65.430000000000007 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.493 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.3 m170 -121.02 102.06 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.627 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 10.6 tt -85.66 134.07 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 64.530000000000001 109.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.7 p90 -150.2 135.38 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 74.209999999999994 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.6 t80 -80.96 154.8 26.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.219999999999999 110.971 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.767 ' OD2' HG23 ' A' ' 55' ' ' VAL . 62.3 t0 -130.64 131.95 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.42 3.69 38.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 64.430000000000007 109.639 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.767 HG23 ' OD2' ' A' ' 53' ' ' ASP . 54.4 t -68.19 -47.39 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 74.030000000000001 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.701 ' CD2' HG12 ' A' ' 55' ' ' VAL . 46.3 m-85 -122.33 3.87 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.530000000000001 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 60.93 51.85 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 65.140000000000001 109.581 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.455 HG11 ' HB ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.44 164.84 19.33 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.340000000000003 109.261 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.98 151.28 39.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 54.229999999999997 111.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.8 t -120.19 172.24 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 62.25 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.582 HD11 ' CZ2' ' A' ' 133' ' ' TRP . 10.3 mt -137.74 141.14 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 62.020000000000003 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 7.3 ttpt -154.41 118.52 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.639 ' HB2' HD21 ' A' ' 46' ' ' LEU . 22.4 p90 -128.97 170.29 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 75.129999999999995 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.585 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 8.6 mtp180 -140.69 141.41 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 72.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.976 ' O ' HD12 ' A' ' 79' ' ' LEU . 73.0 mt -86.52 137.77 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.209999999999994 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.585 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 90.1 m95 -129.43 172.85 11.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.230000000000004 108.017 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.974 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -142.67 97.34 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 71.329999999999998 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -67.9 123.24 20.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -119.01 113.47 21.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 53.420000000000002 109.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.58 34.81 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 42.020000000000003 110.396 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -51.83 -44.41 63.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.549999999999997 110.301 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.655 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.9 mt-10 -102.62 -2.91 27.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 75.310000000000002 110.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.62 48.29 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 45.340000000000003 109.271 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.728 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.78 -8.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 70.25 109.245 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.4 t 83.23 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.439999999999998 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.669 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -80.05 177.55 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 61.200000000000003 109.982 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.7 pp -170.54 163.49 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 71.010000000000005 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' SER . 54.7 ttt85 -155.31 142.38 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 53.219999999999999 110.251 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.976 HD12 ' O ' ' A' ' 65' ' ' LEU . 28.8 tp -66.7 136.82 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.323 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 67' ' ' SER . 90.3 mt -109.16 162.19 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 72.120000000000005 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -144.85 95.45 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 110.361 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.796 HD11 HD13 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -127.92 167.35 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.530000000000001 109.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 m -74.54 -168.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 110.037 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' GLU . 56.5 m-20 -71.43 -54.16 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.239999999999995 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -38.33 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.200000000000003 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.678 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.7 mt-10 -88.33 -47.36 8.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 65.430000000000007 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.876 HD13 HD11 ' A' ' 65' ' ' LEU . 53.5 tp -54.67 -57.98 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 64.109999999999999 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.97 -30.38 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.120000000000005 110.3 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.6 t -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.109999999999999 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -123.38 -42.86 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.317 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 87' ' ' LEU . 14.7 mt -75.77 166.18 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 73.019999999999996 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.843 ' CG ' HD12 ' A' ' 143' ' ' LEU . 68.2 m-80 -121.7 97.17 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 64.109999999999999 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.51 -58.19 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.284 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.12 -85.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -114.0 -18.47 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 75.219999999999999 110.404 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' HD11 ' A' ' 140' ' ' ILE . 8.4 m-85 -61.27 173.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.430000000000007 111.005 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 98' ' ' VAL . 19.4 m -130.1 166.38 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 62.539999999999999 110.009 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 99' ' ' THR . 3.2 t -153.68 163.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.492 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -150.77 112.13 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 75.430000000000007 110.395 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.004 HD11 HG12 ' A' ' 109' ' ' VAL . 50.7 tp -80.1 129.36 34.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 73.310000000000002 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.040000000000006 109.994 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 71.219999999999999 109.973 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.004 HG12 HD11 ' A' ' 100' ' ' LEU . 2.2 t -142.56 136.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -138.05 146.82 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 110.999 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.835 ' CE1' HD13 ' A' ' 100' ' ' LEU . 99.1 m-85 -103.7 126.24 50.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 35.7 m-85 -103.61 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 111.038 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -70.15 134.35 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -54.29 111.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 74.099999999999994 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 8.8 p-10 -139.56 47.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.2 p -92.62 -46.41 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 74.530000000000001 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -105.07 78.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.908 HG22 ' OH ' ' A' ' 129' ' ' TYR . 4.5 m -80.96 -56.7 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 51.350000000000001 110.409 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.75 -14.35 39.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 54.310000000000002 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 9.4 m-20 -94.4 -69.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 41.149999999999999 109.306 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.808 ' HB ' HD13 ' A' ' 136' ' ' LEU . 8.9 p -81.62 -54.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.530000000000001 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.569 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 83.43 -16.97 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 63.299999999999997 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.6 p -38.73 142.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 60.350000000000001 110.05 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.83 -179.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 109.332 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 2' ' ' LEU . 19.3 t -84.69 -8.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 61.549999999999997 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.3 -67.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 64.530000000000001 110.296 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -115.89 47.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.573 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.908 ' OH ' HG22 ' A' ' 118' ' ' THR . 2.9 t80 -73.21 -42.74 62.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.5 mm? -68.79 -22.81 64.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -90.12 -33.09 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 73.030000000000001 110.393 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -89.09 -16.75 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 74.200000000000003 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.582 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 76.5 t90 -86.18 -37.64 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 108.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.958 HD13 ' CG1' ' A' ' 14' ' ' VAL . 7.3 tp -61.4 -47.62 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 61.43 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.622 ' HA ' HG22 ' A' ' 138' ' ' ILE . 2.8 t -72.61 0.1 11.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 75.019999999999996 110.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.808 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -94.98 -43.61 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 52.32 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.793 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -94.42 -45.65 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 73.099999999999994 111.044 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.92 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.9 tp -46.75 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 72.510000000000005 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 137' ' ' TYR . 19.0 mtp180 -64.28 -40.93 96.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 62.43 110.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.565 HD11 ' CD2' ' A' ' 96' ' ' PHE . 32.4 mt -62.59 -11.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.689 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.8 m-85 -107.54 -38.38 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -148.85 122.15 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 61.409999999999997 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.843 HD12 ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -97.71 3.92 50.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 63.030000000000001 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.06 -13.6 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 73.099999999999994 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -94.37 105.19 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 110.999 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.21 98.61 40.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 62.530000000000001 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.864 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.534 1.807 . . . . 72.219999999999999 110.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.493 0.187 . . . . 72.219999999999999 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 7' ' ' TYR . 11.9 tp -50.47 105.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 44.130000000000003 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.479 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 58.4 p -76.22 -170.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.239999999999995 110.374 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.89 -46.01 3.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 61.420000000000002 109.277 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.02 -7.96 19.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 71.439999999999998 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HB3' HD12 ' A' ' 2' ' ' LEU . 5.5 mm-40 -88.59 -44.3 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 72.129999999999995 110.263 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.849 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.06 -38.37 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 110.981 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -63.0 -15.76 57.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 62.240000000000002 109.313 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.28 -28.23 47.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 65.109999999999999 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -106.89 12.5 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.209999999999994 110.29 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.779 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -57.45 -46.51 99.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 109.296 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 74.450000000000003 110.964 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 2.9 m-20 -93.45 -35.39 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 74.129999999999995 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 130' ' ' LEU . 54.0 t -69.95 -44.84 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 65.129999999999995 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 19' ' ' THR . 19.4 ptt180 -71.12 -25.9 62.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.310000000000002 110.273 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 19' ' ' THR . 9.2 t -64.88 -39.78 94.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 50.520000000000003 109.966 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.7 pp -88.59 -33.65 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.310000000000002 109.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.91 ' N ' HD12 ' A' ' 17' ' ' LEU . 1.5 tp -62.09 -34.59 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 64.409999999999997 109.324 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 15' ' ' ARG . 1.6 p -58.73 -15.48 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 60.219999999999999 110.393 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 109.308 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.865 ' CH2' HG11 ' A' ' 38' ' ' VAL . 1.5 t90 -48.87 131.36 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 62.350000000000001 107.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.3 -1.54 53.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 75.120000000000005 109.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.67 -26.25 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 52.409999999999997 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' CE3' ' A' ' 21' ' ' TRP . 12.7 t -59.2 131.84 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 71.319999999999993 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -111.05 -28.79 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 53.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 148.03 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 72.319999999999993 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 36' ' ' LEU . 2.5 mm -139.78 113.21 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.099999999999994 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.868 ' O ' HD23 ' A' ' 34' ' ' LEU . 47.8 tt0 -141.43 156.08 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.049999999999997 110.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.23 161.93 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 71.25 109.282 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' C ' ' A' ' 33' ' ' GLY . 1.6 m -135.6 176.42 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.450000000000003 109.318 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.8 tt0 -72.39 93.27 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 110.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER 79.88 45.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 71.219999999999999 109.286 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.503 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 173.51 -168.81 41.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 111.004 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -153.9 149.29 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 71.430000000000007 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -130.04 112.83 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 72.400000000000006 110.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.765 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -118.72 146.88 44.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -104.35 95.04 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 64.510000000000005 109.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.865 HG11 ' CH2' ' A' ' 21' ' ' TRP . 11.1 t -82.52 148.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 44' ' ' THR . 1.9 mmt-85 -113.25 87.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 55.219999999999999 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 27.1 mt -63.39 -39.38 94.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -142.39 159.08 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 109.307 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -61.08 -13.97 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 62.219999999999999 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.07 13.49 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.430000000000007 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 66' ' ' TRP . 90.7 m -128.21 153.64 46.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 70.140000000000001 110.415 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 38' ' ' VAL . 1.4 tm? -137.67 132.36 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.838 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -119.16 104.68 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 51.100000000000001 109.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HB3' ' HE2' ' A' ' 49' ' ' HIS . 2.5 mt-10 -83.83 116.09 22.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 62.43 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 141' ' ' PHE . 5.0 tt -106.94 135.04 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 73.120000000000005 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.536 ' HE2' ' HB3' ' A' ' 47' ' ' GLU . 1.9 m170 -130.16 155.24 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 53.32 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -129.75 130.47 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 109.351 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 p90 -144.79 131.87 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.25 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 44.9 t80 -70.21 146.07 50.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.789 ' OD2' HG23 ' A' ' 55' ' ' VAL . 39.4 t0 -126.69 110.54 13.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 72.430000000000007 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -71.27 -6.66 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.450000000000003 109.564 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.789 HG23 ' OD2' ' A' ' 53' ' ' ASP . 64.2 t -59.58 -42.57 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 54.32 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.441 ' O ' HG22 ' A' ' 58' ' ' VAL . 44.2 m-85 -122.59 3.98 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 111.027 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 64.04 33.55 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 55.539999999999999 109.583 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -139.57 162.02 53.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 64.439999999999998 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.703 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 163.53 35.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 73.209999999999994 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -129.26 172.93 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 74.200000000000003 109.986 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.805 HD12 ' CD2' ' A' ' 137' ' ' TYR . 38.8 mt -140.24 127.45 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.010000000000005 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.92 128.11 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 71.209999999999994 109.287 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CD1' HD21 ' A' ' 46' ' ' LEU . 40.6 p90 -141.29 164.08 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.966 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -140.78 118.46 11.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 73.319999999999993 110.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.815 HD23 HD23 ' A' ' 46' ' ' LEU . 7.4 mt -64.31 144.67 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 64.439999999999998 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.625 ' O ' HG23 ' A' ' 44' ' ' THR . 95.3 m95 -126.92 158.0 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 61.420000000000002 107.977 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.732 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -128.35 97.7 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 75.510000000000005 109.978 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 125.73 27.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 75.299999999999997 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -121.79 112.84 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 61.439999999999998 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.49 31.99 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 53.020000000000003 110.402 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.07 -43.09 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 62.439999999999998 110.239 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.1 mt-10 -104.38 -14.0 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 74.209999999999994 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.56 50.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 63.210000000000001 109.338 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.828 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.54 -3.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.430000000000007 109.285 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t 73.51 45.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.409999999999997 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.828 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.08 176.46 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.219999999999999 109.973 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 77' ' ' LEU . 4.0 pp -172.2 160.72 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 71.530000000000001 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -155.29 138.65 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 72.209999999999994 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 64' ' ' ARG . 13.8 tp -56.43 132.85 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 74.519999999999996 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 ' HB2' ' A' ' 67' ' ' SER . 26.1 mt -95.27 146.09 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 HG21 ' A' ' 109' ' ' VAL . 1.3 p -139.07 92.28 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 64.439999999999998 110.385 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.893 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -125.66 167.52 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 54.539999999999999 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -60.7 -175.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 53.420000000000002 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -77.34 -34.49 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.120000000000005 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.9 m -56.81 -37.34 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 70.450000000000003 109.998 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.893 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.8 mt-10 -79.94 -45.16 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.239999999999995 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 65' ' ' LEU . 1.7 tp -61.42 -26.73 68.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.23 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 74.310000000000002 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.607 ' HB3' HD13 ' A' ' 90' ' ' ILE . 9.2 t -68.46 -27.27 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 50.420000000000002 109.981 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.71 ' N ' HD13 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -112.44 -44.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 70.239999999999995 109.342 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mt -86.9 171.12 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 73.340000000000003 109.324 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.77 ' O ' HG23 ' A' ' 140' ' ' ILE . 60.2 m-80 -129.2 103.74 7.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 63.130000000000003 109.273 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.91 -58.0 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 63.030000000000001 109.265 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.95 -91.35 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 21.129999999999999 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -116.27 -2.19 12.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 74.540000000000006 110.352 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 140' ' ' ILE . 10.9 m-85 -69.02 -171.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 65.230000000000004 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -146.76 148.86 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 109.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 113' ' ' ILE . 2.9 t -138.59 164.08 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 34.420000000000002 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.506 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -134.75 114.67 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.319999999999993 110.422 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.996 HD11 HG12 ' A' ' 109' ' ' VAL . 3.1 tp -90.44 121.88 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.120000000000005 109.325 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 34.140000000000001 109.984 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.96 -0.385 . . . . 70.040000000000006 109.96 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 100' ' ' LEU . 1.9 t -141.34 134.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.581 ' O ' HD12 ' A' ' 100' ' ' LEU . 2.0 m-85 -128.71 153.33 47.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.963 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.839 ' CE1' HD22 ' A' ' 100' ' ' LEU . 47.2 m-85 -115.28 79.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 110.984 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -68.41 108.58 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.310000000000002 110.953 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 98' ' ' VAL . 4.7 mt -68.96 136.06 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 73.439999999999998 109.253 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -55.72 110.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 50.509999999999998 109.339 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 7.4 p-10 -140.21 43.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 71.219999999999999 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.99 -55.57 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 71.329999999999998 108.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -96.98 46.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 51.450000000000003 109.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.681 HG22 ' OH ' ' A' ' 129' ' ' TYR . 0.9 OUTLIER -67.81 -44.84 76.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 62.32 110.41 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -29.83 49.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 75.409999999999997 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.51 -23.8 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 54.329999999999998 109.323 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -79.25 -69.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 74.519999999999996 109.291 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 1.008 HG22 HD13 ' A' ' 136' ' ' LEU . 2.9 t -77.38 -65.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.261 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.28 -23.11 16.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 54.100000000000001 110.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.6 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 11.2 t -38.23 139.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 51.210000000000001 110.007 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.81 161.04 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.319999999999993 109.335 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.716 HG23 HD13 ' A' ' 2' ' ' LEU . 2.0 p -67.76 -9.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -53.55 -67.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 72.049999999999997 110.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' HIS . . . . . 0.408 ' O ' ' OG1' ' A' ' 131' ' ' THR . 20.1 m-70 -124.38 48.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 53.210000000000001 109.564 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.681 ' OH ' HG22 ' A' ' 118' ' ' THR . 6.0 t80 -77.71 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 64.5 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.915 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.5 mm? -38.09 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 75.109999999999999 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' TYR . 25.8 p -81.91 -50.28 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 110.384 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.8 tpt85 -67.66 -54.81 16.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.66 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 58.1 t90 -40.82 -64.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.994 -1.113 . . . . 65.129999999999995 107.994 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' ILE . 6.3 tp -53.97 -51.74 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 70.349999999999994 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 134' ' ' ILE . 27.7 t -56.04 -16.57 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 109.991 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.008 HD13 HG22 ' A' ' 122' ' ' VAL . 2.6 tt -96.52 -31.53 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.540000000000006 109.277 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.805 ' CD2' HD12 ' A' ' 61' ' ' ILE . 13.3 m-85 -94.17 -1.87 53.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 75.329999999999998 111.028 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 145' ' ' PHE . 4.7 tp -86.97 -19.72 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 63.530000000000001 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -74.41 -5.65 43.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 73.030000000000001 110.294 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.77 HG23 ' O ' ' A' ' 92' ' ' ASN . 13.6 mt -93.55 -9.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 73.510000000000005 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 48' ' ' LEU . 87.7 m-85 -118.58 -34.05 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 53.439999999999998 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -148.21 119.65 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.329999999999998 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 92' ' ' ASN . 3.6 mt -96.84 2.72 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.319999999999993 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.86 -11.27 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.3 OUTLIER -108.39 107.09 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.230000000000004 111.008 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.81 102.12 54.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 71.310000000000002 109.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.572 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.468 1.772 . . . . 72.530000000000001 110.957 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.503 0.192 . . . . 70.200000000000003 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 7' ' ' TYR . 6.9 tp -50.81 100.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.530000000000001 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.51 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 73.9 p -73.8 -167.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.319999999999993 110.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.4 tm? -76.34 -45.45 3.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 74.219999999999999 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.01 -10.77 21.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 72.519999999999996 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.7 mm-40 -88.41 -35.06 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.758 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.84 -20.89 24.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 71.510000000000005 111.007 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -17.06 54.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.25 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.61 -22.81 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 18.6 mt-30 -114.82 12.96 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 62.520000000000003 110.295 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.96 -44.11 99.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 64.340000000000003 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.94 0.07 9.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 64.329999999999998 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.87 -37.06 11.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 65.019999999999996 109.295 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 130' ' ' LEU . 55.6 t -68.96 -55.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 61.310000000000002 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.817 ' O ' HG23 ' A' ' 19' ' ' THR . 5.2 ptt85 -57.59 -30.05 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -58.43 -52.64 64.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 75.239999999999995 109.978 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.974 HD13 ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -78.83 -23.69 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 71.439999999999998 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 18' ' ' LEU . 6.3 tp -60.66 -27.57 67.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 71.140000000000001 109.259 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.7 p -62.28 -23.28 66.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.099999999999994 110.427 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.25 -14.91 62.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.583 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -68.67 115.86 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 64.450000000000003 107.996 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.65 -13.64 44.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 55.25 109.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -82.78 -22.68 34.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 73.129999999999995 109.287 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 38' ' ' VAL . 20.3 t -73.45 118.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.219999999999999 109.262 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -91.73 -27.61 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 71.510000000000005 110.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.76 132.21 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 70.420000000000002 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.4 mm -112.14 103.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 72.409999999999997 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 28.6 tt0 -122.4 151.4 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 110.307 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -119.75 157.71 28.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 61.240000000000002 109.302 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG22 ' N ' ' A' ' 34' ' ' LEU . 15.9 m -122.36 174.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 71.25 109.28 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.92 28.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 110.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -169.12 33.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.430000000000007 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 142.6 -119.19 1.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 52.039999999999999 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -162.26 172.92 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 71.129999999999995 109.325 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.773 ' C ' HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -157.07 106.56 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 52.039999999999999 110.339 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.45 171.84 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 43.439999999999998 109.255 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -129.31 95.34 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 70.219999999999999 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 24' ' ' VAL . 2.2 t -88.13 141.33 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 2.8 mmt-85 -97.42 78.08 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.043 HD13 HD12 ' A' ' 90' ' ' ILE . 12.9 mt -51.74 -31.34 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.120000000000005 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.6 ttmt -157.98 159.56 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 70.109999999999999 109.277 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.39 -14.78 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 75.400000000000006 110.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.05 17.96 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.448 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 12.5 m -135.93 134.23 38.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.439999999999998 110.4 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.017 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -124.66 125.73 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.017 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -111.87 116.38 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 71.239999999999995 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.709 ' OE2' HD21 ' A' ' 45' ' ' LEU . 2.3 mp0 -100.34 121.58 41.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.5 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.821 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -101.35 127.36 48.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 11.5 m170 -120.4 102.83 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 14.7 tt -85.69 136.21 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 33.1 p90 -152.66 172.65 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 1.8 t80 -109.8 141.19 42.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 111.019 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.64 123.17 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 70.299999999999997 109.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.18 3.81 47.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 62.030000000000001 109.581 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.938 HG13 ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -101.16 -31.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 74.219999999999999 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.938 ' CD2' HG13 ' A' ' 55' ' ' VAL . 55.8 m-85 -116.92 -13.51 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.442 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 11.6 m-70 60.61 53.13 4.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 73.400000000000006 109.594 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.4 164.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 65.310000000000002 109.258 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.613 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -75.02 148.2 34.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 54.140000000000001 111.009 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 m -133.19 174.23 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 53.420000000000002 109.963 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 9.7 mt -135.98 131.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.120000000000005 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 11.3 ttpt -143.29 118.58 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 75.420000000000002 109.257 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 91' ' ' LEU . 54.0 p90 -138.24 159.99 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.991 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.953 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -132.14 133.54 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 110.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.0 mt -72.07 141.93 49.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 72.349999999999994 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' A' ' 77' ' ' LEU . 95.2 m95 -127.54 153.7 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 72.129999999999995 107.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.656 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -125.88 97.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -69.08 124.93 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.209999999999994 109.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.63 114.02 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.39 34.65 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 61.43 110.391 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -36.04 67.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 110.328 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.661 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.09 -1.94 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 54.549999999999997 110.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.56 48.27 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.89 -6.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.510000000000005 109.297 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.7 t 78.45 50.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.709 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -87.02 177.81 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 40.240000000000002 110.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.622 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.07 162.85 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 74.010000000000005 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.68 131.92 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 75.120000000000005 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 64' ' ' ARG . 7.5 tp -51.16 136.88 23.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 72.420000000000002 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.9 mt -100.76 154.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.329999999999998 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -143.43 88.39 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 62.5 110.374 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -121.96 167.14 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 74.150000000000006 109.258 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -66.68 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 74.25 109.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -21.3 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 60.43 109.314 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.5 m -64.47 -32.93 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.98 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.819 ' HB2' HD13 ' A' ' 82' ' ' LEU . 5.3 mt-10 -89.02 -46.99 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 110.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 87' ' ' LEU . 2.6 tt -55.7 -50.89 69.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.030000000000001 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.496 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -58.84 -16.19 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 73.25 110.302 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 1.8 t -64.46 -27.32 68.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 71.349999999999994 109.974 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.043 HD12 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -112.67 -33.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 54.049999999999997 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 63' ' ' PHE . 11.9 mt -94.22 173.26 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 72.430000000000007 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.838 ' O ' HG23 ' A' ' 140' ' ' ILE . 63.5 m-80 -135.06 105.0 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 64.140000000000001 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.608 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.87 -57.99 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.219999999999999 109.361 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 53.41 -88.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 111.021 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.2 t -106.52 20.32 19.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 61.130000000000003 110.41 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.74 162.7 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.209999999999994 111.03 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.452 ' HB2' ' ND2' ' A' ' 114' ' ' ASN . 3.4 m -129.16 158.88 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 64.340000000000003 109.99 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 99' ' ' THR . 7.4 p -138.91 169.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 98' ' ' VAL . 2.3 m -143.05 117.01 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 51.119999999999997 110.383 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.023 HD12 ' O ' ' A' ' 110' ' ' TYR . 22.0 tp -97.5 120.98 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 70.25 109.257 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.696 ' O ' HG13 ' A' ' 109' ' ' VAL . 5.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 74.450000000000003 109.949 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.976 -0.379 . . . . 75.349999999999994 109.976 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 101' ' ' SER . 3.0 t -143.46 136.42 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 71.349999999999994 109.285 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 1.023 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.6 m-85 -119.97 157.96 27.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 74.340000000000003 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.897 ' CD1' HD13 ' A' ' 100' ' ' LEU . 44.2 m-85 -110.98 77.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.409999999999997 111.046 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 75.3 m-85 -65.85 113.25 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.219999999999999 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.439 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.4 mt -70.84 141.96 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 97' ' ' SER . 3.2 m-20 -58.68 111.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.2 t30 -136.53 35.9 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 41.210000000000001 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.95 -55.5 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 51.5 108.288 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -133.54 93.77 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 72.140000000000001 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.49 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -83.17 -42.55 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 73.109999999999999 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.17 -31.7 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.32 -13.59 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.109999999999999 109.329 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -94.56 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.010000000000005 109.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.564 HG13 ' N ' ' A' ' 123' ' ' GLY . 12.1 p -79.88 -55.12 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.420000000000002 109.271 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.564 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 76.19 -5.65 40.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.0 m -38.24 142.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 73.349999999999994 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.22 157.4 16.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 62.009999999999998 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.53 -11.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 53.229999999999997 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 78.0 mt-10 -63.04 -68.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 54.340000000000003 110.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 46.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.150000000000006 109.617 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.612 ' HD2' HD22 ' A' ' 2' ' ' LEU . 4.1 t80 -75.72 -41.07 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.857 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.2 mm? -70.46 -18.32 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 72.439999999999998 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.7 p -90.32 -47.74 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 61.140000000000001 110.39 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.84 -45.55 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 75.099999999999994 110.332 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 79.0 t90 -52.42 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 71.329999999999998 108.032 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.62 HG12 HG13 ' A' ' 14' ' ' VAL . 5.7 tp -53.94 -55.81 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 75.530000000000001 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.539 ' N ' HG23 ' A' ' 134' ' ' ILE . 17.8 t -57.07 -15.27 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 41.43 110.051 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -94.03 -33.51 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.271 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 12.1 m-85 -94.6 -3.09 50.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 75.150000000000006 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 145' ' ' PHE . 4.7 tp -81.68 -20.34 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 72.549999999999997 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -76.87 -5.82 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 110.304 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 92' ' ' ASN . 19.0 mt -92.99 -10.19 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 63.399999999999999 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.821 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 84.5 m-85 -119.39 -33.33 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 51.340000000000003 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 49.7 t0 -147.63 112.24 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 63.109999999999999 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 92' ' ' ASN . 1.3 mt -86.05 3.03 44.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 73.040000000000006 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -111.38 -15.04 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.299999999999997 109.322 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 138' ' ' ILE . 25.6 t80 -71.89 111.02 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 72.540000000000006 111.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.31 112.35 59.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 61.109999999999999 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.974 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 71.329999999999998 110.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.495 0.188 . . . . 73.200000000000003 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 7' ' ' TYR . 13.3 tp -50.76 110.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 64.3 p -78.86 -171.19 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 71.099999999999994 110.44 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -75.5 -45.7 4.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 71.420000000000002 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -7.32 19.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.558 1.82 . . . . 71.430000000000007 110.962 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB3' HD12 ' A' ' 2' ' ' LEU . 4.2 mm-40 -88.3 -41.26 13.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 62.530000000000001 110.312 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.845 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.6 -35.84 22.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 63.450000000000003 111.043 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.579 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -66.06 -23.78 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 74.049999999999997 109.341 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -68.92 -25.2 64.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 70.319999999999993 110.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.448 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 3.7 mt-30 -114.37 15.24 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.845 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -63.92 -46.42 81.23 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 109.3 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.96 -0.04 9.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 73.420000000000002 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.3 m-20 -89.48 -33.93 16.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.692 HG12 HD23 ' A' ' 18' ' ' LEU . 72.8 t -73.52 -44.13 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 51.219999999999999 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HD2' HD21 ' A' ' 34' ' ' LEU . 4.0 ptm180 -68.47 -19.11 64.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 64.430000000000007 110.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 t -77.25 -42.98 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 52.240000000000002 110.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.04 HD21 HG21 ' A' ' 134' ' ' ILE . 2.3 pp -78.61 -25.59 45.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.692 HD23 HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -58.18 -19.33 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.409999999999997 109.328 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 p -64.78 -11.26 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 54.329999999999998 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -85.05 -19.25 32.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 70.299999999999997 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.698 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.5 t90 -70.46 119.0 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 75.329999999999998 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.47 -1.85 58.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 53.210000000000001 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 2.4 mtpp -93.51 -26.35 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 70.120000000000005 109.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG23 ' CE3' ' A' ' 21' ' ' TRP . 26.2 t -65.24 129.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 61.409999999999997 109.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -112.81 -20.91 11.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.329999999999998 110.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 11.5 ttt-85 -133.6 151.21 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 74.409999999999997 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -139.27 111.53 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.299999999999997 109.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 47.6 tt0 -146.75 153.5 40.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 72.129999999999995 110.29 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.621 ' HA ' HD23 ' A' ' 34' ' ' LEU . 6.2 t70 -112.26 166.16 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 73.109999999999999 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.8 m -138.15 -178.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 63.530000000000001 109.303 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 25.2 tt0 -78.95 93.91 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 44.32 110.344 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 81.42 43.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 65.040000000000006 109.313 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 170.68 -170.07 42.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 41.310000000000002 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -148.12 146.01 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 55.009999999999998 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.01 117.61 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 110.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.816 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -125.12 149.51 47.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 73.140000000000001 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 69.8 m-20 -101.91 95.15 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 73.120000000000005 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.69 HG12 HD12 ' A' ' 40' ' ' LEU . 21.8 t -78.2 111.82 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.516 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -85.17 88.82 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 75.030000000000001 110.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' ' 46' ' ' LEU . 11.2 mp -69.72 -50.16 46.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 74.519999999999996 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 18.7 ttmt -133.81 153.52 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 62.240000000000002 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -61.0 -14.95 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 51.140000000000001 110.421 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' LEU . 76.3 m-20 -122.44 15.9 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 66' ' ' TRP . 53.3 m -139.4 149.59 44.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.4 tm? -140.16 136.01 33.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 75.340000000000003 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 65' ' ' LEU . 2.3 tm? -126.04 102.06 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.672 ' HG3' HD11 ' A' ' 45' ' ' LEU . 18.0 mt-10 -79.73 121.85 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 32.43 110.327 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.8 tt -108.96 140.66 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -135.22 107.25 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 60.43 109.563 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 5.9 tt -85.33 127.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 61.030000000000001 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 6.4 p90 -142.76 136.57 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 54.210000000000001 111.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CE2' ' O ' ' A' ' 3' ' ' THR . 3.9 t80 -82.89 144.47 30.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 72.209999999999994 110.981 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.737 ' OD2' HG23 ' A' ' 55' ' ' VAL . 38.2 t0 -120.24 123.82 44.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 75.120000000000005 109.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.736 ' NE2' HD23 ' A' ' 4' ' ' LEU . 1.8 m80 -79.44 1.38 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 61.420000000000002 109.571 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.737 HG23 ' OD2' ' A' ' 53' ' ' ASP . 85.1 t -66.84 -45.96 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 74.099999999999994 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.428 ' C ' HG22 ' A' ' 58' ' ' VAL . 53.2 m-85 -122.08 8.72 9.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.129999999999995 111.004 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 56.98 46.35 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 61.43 109.599 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG22 ' C ' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -149.31 163.29 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.230000000000004 109.257 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -75.03 160.01 40.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 73.129999999999995 111.026 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 67.2 m -126.73 -177.51 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 65.5 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.852 HD11 ' HB2' ' A' ' 137' ' ' TYR . 10.8 mt -138.03 135.61 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.019999999999996 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -155.72 115.98 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 62.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.723 ' CD1' HD21 ' A' ' 46' ' ' LEU . 11.4 p90 -141.88 171.09 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.450000000000003 111.014 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.625 ' O ' HD22 ' A' ' 46' ' ' LEU . 9.2 mtp180 -137.47 144.39 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.530000000000001 110.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.013 HD11 HD13 ' A' ' 87' ' ' LEU . 85.6 mt -87.94 148.17 24.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 73.420000000000002 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.583 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 88.1 m95 -140.39 162.47 35.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.5 107.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.723 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -133.3 97.91 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.120000000000005 110.007 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.03 124.2 22.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 61.43 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.09 110.94 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 43.140000000000001 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.32 31.21 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 54.32 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -43.17 -42.22 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 73.430000000000007 110.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' HB2' HG23 ' A' ' 74' ' ' ILE . 3.7 mt-10 -105.88 -13.65 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 73.230000000000004 110.362 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.85 50.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -111.87 -7.97 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.209999999999994 109.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.9 t 78.04 38.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 71.310000000000002 109.992 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -75.29 175.14 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 110.005 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.6 pp -167.25 162.66 15.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 109.305 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' SER . 20.0 ttp-105 -154.12 135.5 14.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 72.530000000000001 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.948 HD12 ' O ' ' A' ' 65' ' ' LEU . 16.0 tp -53.74 132.53 41.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.400000000000006 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 67' ' ' SER . 32.6 mt -99.94 162.62 12.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -156.52 116.91 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 72.219999999999999 110.394 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -145.45 167.14 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -62.72 -168.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 71.310000000000002 109.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.07 -52.64 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t -62.37 -31.83 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 63.020000000000003 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 2.3 mm-40 -68.37 -30.08 68.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 62.32 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.013 HD13 HD11 ' A' ' 65' ' ' LEU . 7.4 tp -87.9 -31.71 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.299999999999997 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -23.65 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 72.120000000000005 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -54.18 -19.72 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 65.200000000000003 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.27 -43.77 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.010000000000005 109.337 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.87 HD12 HD21 ' A' ' 87' ' ' LEU . 10.4 mt -80.66 -179.84 7.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 53.210000000000001 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.705 ' CG ' HD12 ' A' ' 143' ' ' LEU . 67.5 m-80 -142.61 100.01 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 44.340000000000003 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.629 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.93 -58.18 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 64.420000000000002 109.291 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.28 -88.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 63.340000000000003 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -112.66 -10.3 13.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 75.329999999999998 110.387 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -71.49 -171.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 70.099999999999994 110.953 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.6 m -151.67 158.28 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.420000000000002 110.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 99' ' ' THR . 2.7 p -142.61 164.46 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 73.409999999999997 109.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.485 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -130.29 117.28 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 73.450000000000003 110.404 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.88 HD12 ' CE1' ' A' ' 111' ' ' TYR . 4.1 tt -102.27 125.83 49.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 62.240000000000002 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.688 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.965 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.002 -0.37 . . . . 45.140000000000001 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.871 ' CG1' HD21 ' A' ' 100' ' ' LEU . 2.3 t -144.59 141.96 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.540000000000006 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -139.31 -178.21 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.209999999999994 111.015 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.88 ' CE1' HD12 ' A' ' 100' ' ' LEU . 20.1 m-85 -137.91 81.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 26.9 m-85 -77.77 97.38 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 71.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.658 HD12 HG21 ' A' ' 61' ' ' ILE . 27.6 mt -58.67 153.85 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 61.119999999999997 109.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.39 106.07 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.25 109.314 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -128.79 17.51 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -61.27 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.109999999999999 108.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.56 57.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 73.329999999999998 109.287 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -83.18 -6.02 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.200000000000003 110.392 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.56 -39.65 73.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.093 . . . . 72.030000000000001 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.6 -11.11 49.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.232 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -66.89 -69.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 72.340000000000003 109.315 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.906 HG22 HD13 ' A' ' 136' ' ' LEU . 1.9 t -97.36 -65.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 62.119999999999997 109.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 36.79 31.9 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 44.229999999999997 111.054 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' VAL . 88.8 p -83.61 -75.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 71.319999999999993 110.031 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.404 ' N ' ' OG ' ' A' ' 124' ' ' SER . 1.1 t0 -153.26 133.48 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 75.140000000000001 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.721 HG13 ' CD1' ' A' ' 2' ' ' LEU . 82.8 t -63.76 -15.96 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 62.43 109.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.19 -67.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 62.229999999999997 110.283 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.05 46.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 109.607 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 4.0 t80 -78.14 -40.38 38.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 73.219999999999999 111.021 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.4 mm? -68.91 -22.58 64.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 81.9 p -89.92 -32.54 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 60.409999999999997 110.405 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.443 ' HG3' HG13 ' A' ' 122' ' ' VAL . 29.4 tpt85 -90.12 -16.4 29.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 71.030000000000001 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.522 ' CE2' ' HG2' ' A' ' 59' ' ' PRO . 61.3 t90 -85.83 -43.65 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 73.019999999999996 108.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 1.04 HG21 HD21 ' A' ' 17' ' ' LEU . 6.6 tp -55.27 -48.42 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 74.129999999999995 109.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.552 ' HA ' HG22 ' A' ' 138' ' ' ILE . 0.5 OUTLIER -75.44 -0.84 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.906 HD13 HG22 ' A' ' 122' ' ' VAL . 6.9 tt -99.64 -38.62 8.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 71.099999999999994 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.852 ' HB2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -92.87 -43.0 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 111.012 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.698 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 7.1 tp -53.93 -20.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 61.020000000000003 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 135' ' ' SER . 14.4 mtp180 -64.34 -8.23 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.150000000000006 110.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 137' ' ' TYR . 1.2 mm -85.13 -10.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 62.509999999999998 109.342 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 141' ' ' PHE . 2.9 m-85 -122.27 -38.13 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 111.005 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.417 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 5.7 t0 -134.74 114.99 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 74.5 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.705 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.0 mt -97.86 3.18 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 44.32 109.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -113.65 -11.29 12.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -71.43 112.16 7.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 74.420000000000002 111.017 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.74 106.37 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.965 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 65.200000000000003 111.027 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.533 0.206 . . . . 75.030000000000001 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.758 HD13 HG13 ' A' ' 126' ' ' VAL . 13.7 tp -63.36 104.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 71.400000000000006 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 80.8 p -73.67 -170.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.409999999999997 110.429 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -75.91 -45.39 3.94 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 73.120000000000005 109.275 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -11.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 75.430000000000007 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 80.2 mt-10 -87.85 -33.44 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 74.400000000000006 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.798 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.49 -23.32 23.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.519999999999996 111.029 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -75.43 -16.89 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.278 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.83 -22.83 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 73.150000000000006 110.333 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.474 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 30.3 mt-30 -116.33 14.28 15.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 74.420000000000002 110.255 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.766 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -61.15 -45.39 95.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 71.450000000000003 109.285 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.95 -0.2 9.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 51.140000000000001 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 7.6 m-20 -93.78 -33.03 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.897 ' CG1' HD13 ' A' ' 134' ' ' ILE . 69.7 t -78.43 -44.57 26.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 72.109999999999999 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 13.0 ptt85 -66.02 -19.23 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 73.530000000000001 110.32 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 19' ' ' THR . 12.7 t -74.32 -56.96 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 50.229999999999997 109.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.965 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.6 pp -66.69 -22.67 66.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 71.129999999999995 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.751 HD12 HD22 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -58.57 -22.32 55.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.010000000000005 109.292 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 16' ' ' SER . 61.9 p -66.84 -8.51 29.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.44 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 13.6 mtpp -81.62 -18.68 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 70.299999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -75.58 118.64 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 108.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.5 -18.66 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 50.32 109.266 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -74.02 -17.41 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 38' ' ' VAL . 25.0 t -80.89 117.43 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.22 -30.09 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 63.399999999999999 110.279 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.13 135.99 49.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.530000000000001 110.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.436 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.7 mm -119.62 107.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 65.129999999999995 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 31.2 tt0 -128.07 147.95 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 61.039999999999999 110.318 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 142.96 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 52.32 109.292 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 34' ' ' LEU . 16.8 m -111.14 171.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 72.230000000000004 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.51 36.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 60.130000000000003 110.263 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 178.66 39.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.806 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 142.81 -125.43 2.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 65.239999999999995 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -168.69 151.27 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 63.130000000000003 109.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -130.56 108.02 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 110.304 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -109.68 170.89 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 62.119999999999997 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.636 ' OD1' HD21 ' A' ' 45' ' ' LEU . 8.7 t70 -128.4 95.53 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 72.019999999999996 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.657 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 2.3 t -92.25 136.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.567 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -95.31 79.21 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.298 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.976 ' CD1' HD12 ' A' ' 90' ' ' ILE . 9.6 mt -53.46 -35.37 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 64.439999999999998 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 11.1 ttmt -149.08 158.23 44.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.329999999999998 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -58.05 -16.33 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 110.396 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.73 25.06 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.420000000000002 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 17.4 m -140.54 133.67 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 43.009999999999998 110.43 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.988 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -119.22 125.15 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.439999999999998 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.988 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.1 tm? -102.82 97.4 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 70.420000000000002 109.336 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -74.24 100.61 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.349999999999994 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.668 HD12 HD13 ' A' ' 36' ' ' LEU . 2.3 tm? -93.68 123.31 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 62.420000000000002 109.306 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.56 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -128.29 117.73 21.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.230000000000004 109.628 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.531 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.9 tt -89.89 144.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 4.7 p90 -160.35 150.99 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 74.519999999999996 111.006 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -104.75 156.97 17.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 110.985 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 4.7 t0 -117.26 131.29 56.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.530000000000001 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CD2' ' HE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.18 3.54 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.329999999999998 109.606 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.5 t -100.26 -26.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.510000000000005 109.285 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' O ' HG22 ' A' ' 58' ' ' VAL . 51.4 m-85 -110.45 -15.54 13.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 70.040000000000006 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 60.84 40.93 15.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 63.43 109.581 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.695 HG11 HG22 ' A' ' 118' ' ' THR . 0.0 OUTLIER -151.89 164.19 21.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 61.119999999999997 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.545 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 23.1 t -142.62 -179.95 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 109.961 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.964 HD12 ' CD2' ' A' ' 137' ' ' TYR . 68.3 mt -148.7 143.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 64.129999999999995 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -152.01 136.54 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 109.309 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.701 ' CD2' HD21 ' A' ' 46' ' ' LEU . 55.7 p90 -152.42 165.86 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 72.530000000000001 111.02 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.617 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -143.09 112.86 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 63.329999999999998 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 79' ' ' LEU . 75.2 mt -48.03 149.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 43.340000000000003 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.679 ' CE3' HD13 ' A' ' 77' ' ' LEU . 98.5 m95 -136.01 151.73 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 73.439999999999998 107.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.576 ' HB2' HD11 ' A' ' 80' ' ' LEU . 29.5 t -122.68 96.92 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 64.010000000000005 110.033 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -65.82 123.67 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 64.230000000000004 109.296 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.53 113.12 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 109.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.49 36.76 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 63.539999999999999 110.39 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.44 -40.08 64.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 71.310000000000002 110.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.62 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.28 -2.46 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 74.400000000000006 110.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.85 49.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 72.219999999999999 109.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.4 -9.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 45.420000000000002 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.87 42.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 74.409999999999997 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.788 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -80.56 175.54 10.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 110.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.6 pp -164.42 169.04 17.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.84 126.42 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.439999999999998 110.306 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 5.8 tp -60.34 125.04 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 63.25 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.2 mt -95.15 162.62 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 65.439999999999998 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.422 HG23 HG11 ' A' ' 109' ' ' VAL . 2.3 m -152.19 86.19 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 74.450000000000003 110.466 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.827 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -114.26 167.54 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 74.310000000000002 109.321 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 m -61.93 -170.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.006 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.84 -23.36 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 109.256 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -64.0 -33.54 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 64.409999999999997 109.986 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.827 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.0 mt-10 -89.81 -41.22 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.120000000000005 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.87 -40.14 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 52.130000000000003 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -66.22 -25.8 67.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 73.120000000000005 110.274 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -50.75 -21.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 43.43 110.005 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.976 HD12 ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 -41.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.120000000000005 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 16.0 mt -82.49 -179.59 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 72.540000000000006 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.579 ' CG ' HD12 ' A' ' 143' ' ' LEU . 70.3 m-80 -139.8 103.09 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.230000000000004 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.55 -58.17 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 71.409999999999997 109.333 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.31 -81.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 65.230000000000004 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.9 t -112.91 -21.32 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 74.299999999999997 110.383 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.42 -171.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.985 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 m -152.18 165.67 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.310000000000002 110.001 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 99' ' ' THR . 5.9 p -140.88 167.96 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.25 109.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -137.04 110.33 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 52.030000000000001 110.419 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.877 HD21 ' CG1' ' A' ' 109' ' ' VAL . 3.7 tt -91.26 129.18 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.806 ' N ' HD23 ' A' ' 100' ' ' LEU . 16.8 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 62.25 110.003 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.04 -0.356 . . . . 71.129999999999995 110.04 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.877 ' CG1' HD21 ' A' ' 100' ' ' LEU . 13.0 t -148.55 167.33 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 72.319999999999993 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 109' ' ' VAL . 2.3 m-85 -157.93 166.04 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 73.010000000000005 110.993 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.868 ' CE1' HD12 ' A' ' 100' ' ' LEU . 42.4 m-85 -134.21 79.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 62' ' ' LYS . 96.3 m-85 -75.02 117.77 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 111.038 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.568 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.0 mt -71.07 136.44 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 63.149999999999999 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -56.53 111.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.230000000000004 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.497 ' CB ' ' OH ' ' A' ' 137' ' ' TYR . 4.7 p-10 -139.22 18.32 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 62.310000000000002 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.5 p -52.81 -46.86 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 61.030000000000001 108.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.86 89.3 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.307 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.695 HG22 HG11 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -81.5 -32.12 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 74.519999999999996 110.394 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -61.85 -26.45 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.349 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.46 -12.07 47.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 55.130000000000003 109.281 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -88.49 -68.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 75.400000000000006 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.818 ' HB ' HD22 ' A' ' 136' ' ' LEU . 7.4 p -99.62 -53.7 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 64.510000000000005 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.551 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 36.23 40.01 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 24.329999999999998 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.4 m -73.84 -80.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 73.129999999999995 110.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -161.57 147.01 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 72.310000000000002 109.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.758 HG13 HD13 ' A' ' 2' ' ' LEU . 18.7 t -67.7 -12.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 61.439999999999998 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.406 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 38.5 mt-10 -59.12 -67.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 70.310000000000002 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.83 46.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.099999999999994 109.592 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 122' ' ' VAL . 4.1 t80 -71.46 -37.81 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 64.319999999999993 111.047 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.798 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.2 mm? -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 70.540000000000006 109.32 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -88.12 -36.8 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.299999999999997 110.401 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -82.49 -16.2 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 71.209999999999994 110.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.61 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 75.4 t90 -87.11 -45.95 10.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 74.329999999999998 107.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.897 HD13 ' CG1' ' A' ' 14' ' ' VAL . 5.6 tp -56.39 -49.75 75.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 73.230000000000004 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 30.7 t -67.12 -4.39 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 54.329999999999998 109.945 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.818 HD22 ' HB ' ' A' ' 122' ' ' VAL . 1.4 tp -93.46 -54.47 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 72.340000000000003 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.964 ' CD2' HD12 ' A' ' 61' ' ' ILE . 9.7 m-85 -78.92 -46.46 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 134' ' ' ILE . 5.4 tp -49.36 -28.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 74.329999999999998 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 135' ' ' SER . 27.0 mtp180 -58.32 -36.91 74.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASN . 42.0 mt -64.49 -10.26 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 55.140000000000001 109.341 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.59 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.0 m-85 -113.73 -31.73 6.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 111.021 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.562 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.49 110.28 4.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 35.350000000000001 109.302 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.579 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.9 mt -92.64 3.64 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 71.530000000000001 109.264 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -106.46 -23.56 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 61.32 109.336 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.8 OUTLIER -92.14 109.44 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 110.975 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.2 98.56 51.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 70.409999999999997 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.965 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 64.420000000000002 110.992 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.478 0.18 . . . . 74.099999999999994 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.764 HD11 ' CA ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -55.84 145.3 24.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.513 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 32.4 p -65.91 -177.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 43.340000000000003 110.374 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.768 HD23 ' CD1' ' A' ' 52' ' ' TYR . 1.5 tm? -77.38 -44.07 2.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.099999999999994 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.95 -9.38 20.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 74.200000000000003 111.035 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 27.8 mm-40 -88.67 -36.71 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.510000000000005 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.764 ' CA ' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.33 -30.68 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 110.984 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.564 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 10.9 m-20 -73.17 -15.06 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 54.539999999999999 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -68.94 -23.14 64.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 73.340000000000003 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.74 18.61 15.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.345 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -64.12 -47.41 79.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 64.140000000000001 109.318 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 54.100000000000001 111.002 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.7 m-20 -91.11 -35.85 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 64.150000000000006 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.84 ' CG1' HD13 ' A' ' 134' ' ' ILE . 24.3 t -67.47 -54.83 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.916 ' O ' HG23 ' A' ' 19' ' ' THR . 27.2 ptt85 -64.83 -32.28 73.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -54.14 -42.43 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 71.329999999999998 110.061 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.918 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.5 pp -88.1 -32.66 18.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 74.299999999999997 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.918 ' N ' HD12 ' A' ' 17' ' ' LEU . 8.3 tp -57.2 -18.85 17.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 54.340000000000003 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 15' ' ' ARG . 68.3 p -59.38 -19.6 48.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 44.43 110.397 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -72.74 -24.39 60.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.200000000000003 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.699 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.7 t90 -57.43 126.83 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 107.988 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.99 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.400000000000006 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HB2' HG13 ' A' ' 38' ' ' VAL . 19.7 mtpp -81.13 -24.62 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.349999999999994 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.604 HG23 ' CE3' ' A' ' 21' ' ' TRP . 13.5 t -67.05 113.85 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 65.140000000000001 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.47 -36.76 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 62.32 110.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.09 147.35 49.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 74.019999999999996 110.355 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' CD1' HD23 ' A' ' 36' ' ' LEU . 1.8 mm -132.47 129.75 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' O ' HD23 ' A' ' 34' ' ' LEU . 35.9 tt0 -157.13 139.48 14.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 72.129999999999995 110.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' HA ' HD23 ' A' ' 34' ' ' LEU . 1.4 p-10 -102.82 154.61 19.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -130.43 172.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 62.049999999999997 109.288 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 2.9 pt20 -70.91 95.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 72.209999999999994 110.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER 76.33 52.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 74.519999999999996 109.327 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.1 -164.98 38.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.085 . . . . 62.32 111.029 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -159.03 142.03 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 75.400000000000006 109.317 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.68 113.98 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 72.329999999999998 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.795 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.84 164.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.430000000000007 109.304 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -119.97 95.34 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.304 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' CH2' ' A' ' 21' ' ' TRP . 11.9 t -84.75 126.99 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 63.25 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -90.9 84.79 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 64.329999999999998 110.341 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.846 HD13 ' CB ' ' A' ' 46' ' ' LEU . 7.4 mp -66.62 -40.33 88.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -139.61 154.16 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 62.32 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -59.48 -17.81 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.209999999999994 110.43 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 20.28 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.450000000000003 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 66' ' ' TRP . 18.0 m -137.87 144.71 41.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 70.329999999999998 110.424 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -132.18 136.18 46.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.338 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.846 ' CB ' HD13 ' A' ' 40' ' ' LEU . 2.2 tm? -114.5 102.3 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.150000000000006 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.28 104.09 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 71.049999999999997 110.265 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD12 ' CE2' ' A' ' 141' ' ' PHE . 0.5 OUTLIER -94.98 133.43 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 75.120000000000005 109.295 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.38 106.29 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.633 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 9.4 tt -85.0 135.24 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 109.329 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.589 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 22.2 p90 -150.27 135.31 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 74.019999999999996 111.042 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.768 ' CD1' HD23 ' A' ' 4' ' ' LEU . 40.7 t80 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 111.002 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.51 115.67 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.304 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.47 3.63 24.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 65.340000000000003 109.605 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.1 t -86.49 -40.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.23 -7.27 10.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 52' ' ' TYR . 53.9 m-70 65.64 45.84 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.592 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.78 157.95 53.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 54.329999999999998 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.4 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.769 . . . . 73.120000000000005 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 51' ' ' TYR . 22.9 t -117.99 170.74 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.519999999999996 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' ' CZ2' ' A' ' 133' ' ' TRP . 13.2 mt -138.55 124.12 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 73.439999999999998 109.274 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -137.99 120.47 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 62.539999999999999 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.689 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 42.3 p90 -130.17 148.01 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.329999999999998 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.6 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 10.4 mtm180 -123.99 118.37 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 110.292 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 79' ' ' LEU . 77.6 mt -63.21 142.56 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 73.540000000000006 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.0 m95 -135.23 151.77 50.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 72.010000000000005 107.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.784 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -123.91 97.6 5.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 53.530000000000001 110.005 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.83 123.08 19.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -120.92 113.5 20.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -108.47 37.73 2.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 110.403 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.25 -42.85 52.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 52.399999999999999 110.276 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.9 mt-10 -102.84 -8.41 20.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.420000000000002 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t70 81.62 43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.738 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -111.76 11.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 64.209999999999994 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.453 ' H ' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER 51.91 40.05 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.010000000000005 109.993 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.674 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -69.51 -178.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 52.520000000000003 109.98 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.49 163.03 6.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 64.310000000000002 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -155.23 130.88 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.140000000000001 110.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.722 HD21 ' HB ' ' A' ' 109' ' ' VAL . 7.3 tp -57.15 126.66 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 67' ' ' SER . 26.3 mt -93.17 145.74 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 75.340000000000003 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 m -135.99 94.72 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 110.404 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.842 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.33 167.18 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 73.310000000000002 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 p -72.83 -172.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 63.299999999999997 109.988 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' GLU . 5.1 t70 -68.92 -53.8 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 72.530000000000001 109.317 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m -38.81 -30.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 73.340000000000003 110.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 82' ' ' LEU . 2.1 mt-10 -89.4 -45.73 9.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 72.129999999999995 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.483 ' CD1' HD11 ' A' ' 65' ' ' LEU . 48.3 tp -58.96 -61.16 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 61.240000000000002 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -49.25 -23.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 62.539999999999999 110.303 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.8 t -51.13 -38.9 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 64.310000000000002 109.995 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.54 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.3 pt -108.03 -34.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 63.450000000000003 109.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.689 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 5.8 mt -77.14 178.82 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 53.200000000000003 109.322 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 140' ' ' ILE . 70.3 m-80 -141.57 91.21 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.510000000000005 109.324 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.636 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -91.74 -57.98 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.25 109.343 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.3 -79.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 55.210000000000001 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.0 t -112.86 -18.44 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 53.119999999999997 110.388 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.34 -171.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.200000000000003 110.96 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.515 ' HB2' ' ND2' ' A' ' 114' ' ' ASN . 1.8 m -149.29 167.23 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 72.140000000000001 110.003 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 99' ' ' THR . 14.4 p -152.49 165.41 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 62.439999999999998 109.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -143.17 130.43 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 73.439999999999998 110.368 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.795 HD11 ' CG1' ' A' ' 109' ' ' VAL . 10.6 tp -91.0 128.67 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 74.010000000000005 109.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.454 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 31.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 73.209999999999994 109.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.998 -0.371 . . . . 72.409999999999997 109.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.795 ' CG1' HD11 ' A' ' 100' ' ' LEU . 67.4 t -148.26 158.14 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 71.409999999999997 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 101' ' ' SER . 1.1 p90 -160.49 146.07 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 70.310000000000002 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.788 ' HE1' HD22 ' A' ' 100' ' ' LEU . 74.9 m-85 -102.31 122.54 44.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 75.439999999999998 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.416 ' HE1' ' HH ' ' A' ' 51' ' ' TYR . 16.0 m-85 -100.52 119.97 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 73.040000000000006 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.03 131.5 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 97' ' ' SER . 3.0 m-20 -42.91 113.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.420000000000002 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.3 t30 -142.93 47.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 72.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 80.2 m -71.52 -53.72 12.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 108.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 0.4 OUTLIER -134.05 95.37 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 60.32 109.299 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.406 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . 53.1 m -69.29 -13.43 62.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 71.310000000000002 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.66 -17.76 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 61.329999999999998 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.54 43.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 62.009999999999998 109.297 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.927 ' OD1' HG23 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -95.28 -66.17 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 136' ' ' LEU . 2.8 t -74.03 -66.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.143 . . . . 62.420000000000002 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 34.15 35.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 71.129999999999995 111.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' VAL . 65.4 m -73.97 -80.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 64.109999999999999 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -162.86 130.74 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 53.130000000000003 109.269 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.488 HG13 ' HB2' ' A' ' 2' ' ' LEU . 33.0 t -57.3 -18.11 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.89 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 73.420000000000002 110.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.4 47.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 62.32 109.553 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -73.33 -35.46 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 110.965 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.763 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.5 mm? -68.82 -24.89 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 72.540000000000006 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 p -90.03 -32.69 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 63.140000000000001 110.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CD ' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -87.84 -17.13 32.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 63.200000000000003 110.295 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.64 ' CZ2' ' CD1' ' A' ' 61' ' ' ILE . 79.9 t90 -86.88 -44.29 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.299999999999997 107.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.84 HD13 ' CG1' ' A' ' 14' ' ' VAL . 7.1 tp -58.18 -49.03 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 73.540000000000006 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 2.4 t -72.87 -2.89 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 61.32 109.989 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 122' ' ' VAL . 0.8 OUTLIER -97.83 -39.93 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 63.439999999999998 109.292 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.651 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -91.89 -50.38 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 111.001 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.699 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 7.0 tp -42.57 -28.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 73.439999999999998 109.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 135' ' ' SER . 76.4 mtt-85 -62.05 -46.35 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.109999999999999 110.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.5 mt -50.74 -20.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 63.130000000000003 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.692 ' CE2' HD12 ' A' ' 48' ' ' LEU . 7.5 m-85 -104.03 -34.53 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.450000000000003 111.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 48.2 t0 -148.67 100.38 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.109999999999999 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 139' ' ' ARG . 12.5 mt -82.84 3.16 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 74.099999999999994 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.73 -22.23 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 75.299999999999997 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.455 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 50.2 t80 -80.89 109.54 15.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 110.998 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 103.44 52.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 61.039999999999999 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.74 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 75.230000000000004 110.968 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptp . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.46 0.171 . . . . 65.030000000000001 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.886 HD21 ' HB2' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -50.12 101.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.27 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 55.4 p -71.88 -165.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.2 tm? -76.71 -45.72 3.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.96 -9.29 20.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 61.25 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' OE1' HG21 ' A' ' 126' ' ' VAL . 24.9 mt-10 -88.54 -36.0 16.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 110.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.886 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.66 -33.32 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 110.988 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.548 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -67.59 -21.11 65.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 75.25 109.306 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -75.19 -24.09 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.5 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' A' ' 127' ' ' GLU . 35.1 mt-30 -109.46 13.91 23.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 61.100000000000001 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.701 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -62.14 -45.18 90.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 64.450000000000003 109.3 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.99 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 63.420000000000002 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.9 m-20 -91.01 -34.21 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 130' ' ' LEU . 39.0 t -77.07 -51.84 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 54.310000000000002 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -62.97 -18.31 63.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 65.109999999999999 110.294 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 19' ' ' THR . 12.6 t -76.59 -45.38 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 70.239999999999995 109.986 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.878 HD13 ' HB3' ' A' ' 147' ' ' PRO . 1.7 pp -77.6 -25.89 50.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 73.019999999999996 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 HD11 ' A' ' 134' ' ' ILE . 1.8 mm? -57.96 -17.8 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 16' ' ' SER . 81.9 p -63.73 -14.34 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 110.392 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.53 -18.0 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 74.209999999999994 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.641 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.7 t90 -73.94 124.39 26.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 71.150000000000006 108.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.52 -15.7 28.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -79.43 -15.05 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 42.310000000000002 109.303 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 39.2 t -80.52 123.62 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 32.329999999999998 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.95 -22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 70.340000000000003 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.634 ' HD3' HE22 ' A' ' 35' ' ' GLN . 6.1 ttt85 -126.77 131.21 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.219999999999999 110.231 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -125.07 109.1 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.648 ' O ' HD23 ' A' ' 34' ' ' LEU . 52.2 tt0 -142.82 153.87 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 74.209999999999994 110.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -115.39 162.48 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.3 m -139.36 159.86 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.239999999999995 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -55.63 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.119999999999997 110.323 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER 78.22 53.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 165.74 -172.88 41.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 33.340000000000003 110.994 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -154.01 146.66 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 53.409999999999997 109.288 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.634 HE22 ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -127.54 115.35 18.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 60.439999999999998 110.321 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.803 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.6 150.53 40.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 75.299999999999997 109.302 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 7.2 m-20 -101.64 95.33 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 70.239999999999995 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 t -82.23 134.28 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 54.299999999999997 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.17 94.0 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.01 HD13 HD12 ' A' ' 90' ' ' ILE . 16.9 mt -71.35 -49.29 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 72.25 109.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.8 ttmt -135.57 158.01 45.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.239999999999995 109.289 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.4 ' HA ' ' NE ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -56.56 -19.98 18.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 71.230000000000004 110.436 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -128.56 24.22 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 71.219999999999999 109.246 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 66' ' ' TRP . 11.7 m -141.03 134.48 29.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 50.100000000000001 110.399 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.858 HD22 ' H ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -119.76 146.39 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 109.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.959 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.2 tm? -130.33 106.19 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.049999999999997 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.773 ' HG3' HD11 ' A' ' 45' ' ' LEU . 12.7 mt-10 -84.68 114.87 22.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 73.049999999999997 110.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.613 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -102.78 139.91 37.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 73.549999999999997 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 1.2 m170 -133.25 129.89 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 63.439999999999998 109.594 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.5 tt -107.18 133.48 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.674 ' CE1' ' CB ' ' A' ' 60' ' ' SER . 13.0 p90 -152.61 129.56 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 110.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.68 ' CD1' HD23 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.9 155.35 32.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.969 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.888 ' OD1' HG23 ' A' ' 55' ' ' VAL . 51.5 t0 -129.53 129.66 44.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 70.299999999999997 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.6 OUTLIER -81.95 3.76 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 109.572 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.888 HG23 ' OD1' ' A' ' 53' ' ' ASP . 75.3 t -68.1 -53.47 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 74.150000000000006 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.696 ' CD1' HG12 ' A' ' 55' ' ' VAL . 34.7 m-85 -117.81 8.29 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 111.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 58.13 50.6 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 71.409999999999997 109.565 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -147.32 167.47 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 62.229999999999997 109.316 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.2 Cg_endo -74.99 165.92 30.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 62.439999999999998 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.674 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 1.3 m -129.63 -179.71 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 61.310000000000002 110.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 137' ' ' TYR . 4.3 mt -150.66 134.23 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 109.303 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.571 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 10.2 ttpt -156.42 116.63 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 62.32 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.959 ' CD1' HD21 ' A' ' 46' ' ' LEU . 22.6 p90 -135.84 173.84 11.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.25 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.662 ' O ' HD22 ' A' ' 46' ' ' LEU . 6.7 mtp180 -140.3 150.33 43.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 72.409999999999997 110.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.983 HD11 HD13 ' A' ' 87' ' ' LEU . 78.4 mt -91.49 144.62 25.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 75.049999999999997 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 87.3 m95 -136.75 149.75 48.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 107.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.838 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -124.19 97.47 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 60.219999999999999 110.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -67.07 122.98 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.304 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.96 114.04 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 71.450000000000003 109.266 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.78 34.66 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 110.392 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.63 -36.39 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 75.099999999999994 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.664 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -108.27 -1.57 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 72.040000000000006 110.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.46 47.41 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.324 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.737 ' H ' HD13 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.98 -7.36 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 70.329999999999998 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.8 t 80.83 48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 72.430000000000007 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.696 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -83.7 176.23 9.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 61.240000000000002 109.992 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.508 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.7 163.38 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.56 137.08 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 110.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 65' ' ' LEU . 11.6 tp -55.13 131.23 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 67' ' ' SER . 31.1 mt -96.84 162.57 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 63.329999999999998 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -154.79 107.27 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.450000000000003 110.413 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -141.33 167.18 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.293 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -56.54 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 50.420000000000002 109.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -45.45 15.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 73.519999999999996 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -67.17 -24.27 65.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.329999999999998 110.045 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.5 mt-10 -79.75 -33.55 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 63.439999999999998 110.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.983 HD13 HD11 ' A' ' 65' ' ' LEU . 2.5 tp -84.2 -28.46 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 72.120000000000005 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.34 -19.24 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 61.299999999999997 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -54.64 -24.76 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.040000000000006 109.991 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.01 HD12 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -115.67 -37.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 70.409999999999997 109.316 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 66.2 mt -85.2 -179.82 7.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 61.009999999999998 109.314 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.6 m-80 -143.87 97.36 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -92.53 -58.03 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 53.439999999999998 109.312 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.57 -81.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.477 1.111 . . . . 64.140000000000001 111.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 6.9 t -113.27 -21.74 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 54.539999999999999 110.396 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 140' ' ' ILE . 12.4 m-85 -66.08 -170.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 63.219999999999999 110.997 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.3 m -153.1 170.31 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 70.329999999999998 110.014 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.536 HG22 ' N ' ' A' ' 99' ' ' THR . 2.6 p -153.67 166.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.536 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.1 m -135.58 124.32 23.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 110.408 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.897 HD13 ' CD1' ' A' ' 111' ' ' TYR . 13.7 tp -98.45 122.18 41.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.200000000000003 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 54.32 109.983 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.006 -0.368 . . . . 71.519999999999996 110.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.449 ' CG2' ' HG ' ' A' ' 100' ' ' LEU . 3.7 p -147.64 151.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.140000000000001 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.835 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -138.5 161.23 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 111.038 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.897 ' CD1' HD13 ' A' ' 100' ' ' LEU . 29.9 m-85 -107.49 80.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 75.209999999999994 110.953 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 71.4 m-85 -67.66 99.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 110.956 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.08 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 109.28 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.87 107.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 61.100000000000001 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' THR . 19.6 p-10 -107.08 -17.9 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 74.349999999999994 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.5 p -52.22 -28.07 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.150000000000006 108.287 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.28 36.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 109.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.46 HG22 ' OH ' ' A' ' 129' ' ' TYR . 1.1 m -83.0 -63.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -21.7 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 75.430000000000007 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.08 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.989 ' HB3' HD21 ' A' ' 136' ' ' LEU . 92.4 m-20 -92.54 -69.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.319999999999993 109.275 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.966 ' CG2' HD22 ' A' ' 136' ' ' LEU . 66.3 t -56.73 -65.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 74.5 109.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 131.94 -140.45 11.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 41.140000000000001 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 t -122.11 -2.22 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 61.43 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.0 89.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.539 HG23 HD12 ' A' ' 2' ' ' LEU . 2.4 p -75.43 -8.19 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 60.229999999999997 109.287 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 27.7 mt-10 -65.52 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 65.239999999999995 110.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -112.91 47.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 109.578 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.897 ' CD1' HG11 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -78.84 -34.82 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 73.219999999999999 110.984 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.908 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.4 mm? -78.97 -20.09 50.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.530000000000001 109.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 64.340000000000003 110.353 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.71 ' NE ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -89.62 -49.73 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 72.230000000000004 110.307 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.529 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 82.9 t90 -44.98 -49.27 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 74.400000000000006 107.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.852 HG21 HD21 ' A' ' 17' ' ' LEU . 6.1 tp -53.37 -53.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.340000000000003 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.543 ' HA ' HG22 ' A' ' 138' ' ' ILE . 1.7 t -67.92 -1.38 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 54.009999999999998 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.989 HD21 ' HB3' ' A' ' 121' ' ' ASN . 2.7 tp -93.44 -54.3 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 61.140000000000001 109.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.775 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -82.99 -44.66 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 74.030000000000001 110.981 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 134' ' ' ILE . 6.4 tp -47.97 -26.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.219999999999999 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -61.1 -39.66 90.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 110.329 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.592 HD11 ' CD2' ' A' ' 96' ' ' PHE . 74.4 mt -61.39 -11.93 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 54.43 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.613 ' CE2' HD12 ' A' ' 48' ' ' LEU . 76.0 m-85 -113.02 -30.28 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 63.030000000000001 110.996 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.62 104.5 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 72.319999999999993 109.337 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.97 2.98 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -111.86 -18.25 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 62.329999999999998 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.422 ' CB ' ' HB2' ' A' ' 142' ' ' ASP . 68.5 t80 -76.24 111.89 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.51 115.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.049999999999997 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.878 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 72.319999999999993 110.969 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.478 0.18 . . . . 55.350000000000001 110.996 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 7' ' ' TYR . 14.7 tp -74.71 109.72 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 52.439999999999998 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 61.4 p -76.68 -171.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 110.398 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.03 -45.6 3.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 71.129999999999995 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -8.15 19.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 61.420000000000002 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 2' ' ' LEU . 29.3 mt-10 -88.17 -39.15 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.450000000000003 110.336 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.707 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -85.96 -36.93 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.540000000000006 110.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 73.299999999999997 109.316 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.35 -32.21 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 72.140000000000001 110.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.5 mp0 -103.57 7.22 37.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 61.350000000000001 110.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.627 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -55.29 -45.46 99.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.271 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.0 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 75.129999999999995 110.99 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.58 -34.7 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 72.230000000000004 109.286 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.952 ' O ' HD23 ' A' ' 18' ' ' LEU . 23.3 t -75.43 -48.43 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 71.120000000000005 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -62.65 -23.88 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.140000000000001 110.267 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 19' ' ' THR . 7.3 t -67.16 -60.76 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 61.520000000000003 110.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.977 HD13 ' CB ' ' A' ' 147' ' ' PRO . 2.9 pp -62.82 -23.67 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 72.319999999999993 109.276 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.952 HD23 ' O ' ' A' ' 14' ' ' VAL . 1.3 mm? -52.3 -23.3 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 53.350000000000001 109.293 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 16' ' ' SER . 75.8 p -62.26 -34.76 77.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 60.409999999999997 110.446 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 11.0 mmmt -57.89 -17.57 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 71.409999999999997 109.339 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 1.041 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.7 t90 -74.32 106.82 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.01 -1.107 . . . . 74.430000000000007 108.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.04 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 43.310000000000002 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.718 ' HB2' HG13 ' A' ' 38' ' ' VAL . 16.1 mtpt -72.39 -25.47 61.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 74.430000000000007 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' A' ' 21' ' ' TRP . 11.7 t -71.57 118.74 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 64.510000000000005 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -108.29 -23.44 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -135.76 131.51 35.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 70.540000000000006 110.336 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -117.18 118.94 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 70.319999999999993 109.348 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.827 ' O ' HD23 ' A' ' 34' ' ' LEU . 51.3 tt0 -134.5 158.02 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.310000000000002 110.259 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -121.32 155.43 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 71.540000000000006 109.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' C ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -133.1 167.63 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 64.25 109.306 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.2 tt0 -61.23 92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 74.530000000000001 110.333 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.755 ' OD1' HD11 ' A' ' 4' ' ' LEU . 6.0 t70 76.09 50.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 65.230000000000004 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.501 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 174.12 -165.09 36.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 70.25 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -158.48 153.31 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 73.540000000000006 109.271 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.735 ' C ' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -137.99 105.48 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.314 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.838 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.62 167.52 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 43.329999999999998 109.289 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.35 94.94 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.32 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.041 HG21 ' CH2' ' A' ' 21' ' ' TRP . 26.6 t -91.34 111.53 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 65.099999999999994 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.604 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -85.8 85.95 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 35.229999999999997 110.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.772 HD12 HG12 ' A' ' 38' ' ' VAL . 7.5 mp -63.65 -39.08 93.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 71.150000000000006 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -142.71 154.75 44.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.349999999999994 109.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -61.6 -14.46 30.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 71.409999999999997 110.393 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -123.82 11.32 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 64.040000000000006 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.1 m -134.01 146.49 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 64.319999999999993 110.36 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 45' ' ' LEU . 2.7 tm? -133.0 136.63 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 64.340000000000003 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' A' ' 40' ' ' LEU . 1.3 tm? -114.99 99.07 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.282 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 2.1 tt0 -82.45 109.42 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.400000000000006 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.704 HD13 ' N ' ' A' ' 49' ' ' HIS . 2.4 tm? -98.05 131.68 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 51.240000000000002 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.704 ' N ' HD13 ' A' ' 48' ' ' LEU . 2.1 m170 -128.29 120.52 27.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 75.019999999999996 109.583 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 2.7 tt -104.43 125.38 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 73.239999999999995 109.336 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 43.5 p90 -144.17 138.7 28.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 1.2 t80 -85.48 155.21 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 65.25 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t0 -127.87 130.09 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 75.340000000000003 109.277 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 54' ' ' HIS . 1.0 OUTLIER -84.23 3.5 35.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 63.43 109.599 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.522 HG23 ' OD1' ' A' ' 53' ' ' ASP . 67.0 t -72.16 -50.67 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 51.43 109.359 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.402 ' C ' HG22 ' A' ' 58' ' ' VAL . 81.6 m-85 -115.91 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.120000000000005 110.985 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.438 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.0 m-70 57.86 56.63 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.150000000000006 109.647 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -156.09 164.91 19.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 74.120000000000005 109.304 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.94 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 72.129999999999995 110.998 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 10.9 m -122.3 177.42 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 73.549999999999997 110.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.616 HG21 HD12 ' A' ' 113' ' ' ILE . 2.9 mt -139.21 136.33 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 75.150000000000006 109.306 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 11.9 ttpt -155.61 116.46 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 72.209999999999994 109.327 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 91' ' ' LEU . 23.3 p90 -135.38 170.48 15.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 65.510000000000005 111.014 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.762 ' HB3' HD11 ' A' ' 79' ' ' LEU . 5.5 mtm180 -150.64 113.0 4.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 79' ' ' LEU . 8.8 mp -66.48 145.34 55.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 62.219999999999999 109.316 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 83.2 m95 -133.15 151.68 51.97 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 72.299999999999997 108.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.724 ' HB2' HD11 ' A' ' 80' ' ' LEU . 1.3 t -119.09 97.83 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.604 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.61 123.84 21.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -118.21 113.47 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 70.430000000000007 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.66 33.85 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 110.433 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.48 -36.37 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 54.310000000000002 110.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.666 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.7 mt-10 -108.33 -1.65 19.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.76 47.54 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 73.209999999999994 109.318 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.727 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.96 -8.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 75.299999999999997 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.52 45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 41.210000000000001 110.02 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.714 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -77.99 178.97 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 44.200000000000003 110.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.2 pp -174.13 160.36 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 61.450000000000003 109.262 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -155.0 130.04 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 74.340000000000003 110.324 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.4 tp -49.14 136.21 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.349999999999994 109.269 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 67' ' ' SER . 42.6 mt -99.64 115.43 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 74.439999999999998 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.5 m -118.34 93.14 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.030000000000001 110.407 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.842 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -124.17 167.03 14.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 60.439999999999998 109.305 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 171.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 61.25 109.979 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -63.8 -38.91 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 65.420000000000002 109.3 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -50.2 -42.42 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 72.549999999999997 110.008 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.4 mt-10 -79.62 -45.15 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.230000000000004 110.26 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.917 HD11 HD12 ' A' ' 91' ' ' LEU . 2.9 tm? -58.66 -22.67 57.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 75.239999999999995 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.497 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -86.02 -21.87 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 110.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -58.57 -16.18 14.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 52.229999999999997 110.004 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -124.74 -44.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 33.530000000000001 109.272 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.917 HD12 HD11 ' A' ' 87' ' ' LEU . 4.8 mt -78.17 173.21 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 74.040000000000006 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 140' ' ' ILE . 71.3 m-80 -133.6 100.52 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.319999999999993 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.75 -57.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 109.28 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.01 -85.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 73.519999999999996 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -122.81 4.45 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.400000000000006 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.22 -171.78 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 64.030000000000001 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -145.36 162.76 36.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 63.210000000000001 109.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.576 HG22 ' H ' ' A' ' 99' ' ' THR . 7.5 p -148.91 172.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 65.109999999999999 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.576 ' H ' HG22 ' A' ' 98' ' ' VAL . 1.3 m -150.33 111.29 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 73.230000000000004 110.359 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 109' ' ' VAL . 7.9 tt -89.43 121.52 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 75.439999999999998 109.255 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 71.5 109.982 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.012 -0.366 . . . . 72.430000000000007 110.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 100' ' ' LEU . 3.2 t -144.16 153.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.120000000000005 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -140.97 167.65 21.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.319999999999993 110.973 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CE1' HD12 ' A' ' 100' ' ' LEU . 30.0 m-85 -122.88 78.58 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 110.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 48.5 m-85 -65.84 105.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 72.450000000000003 111.011 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.616 HD12 HG21 ' A' ' 61' ' ' ILE . 5.6 mt -70.66 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -66.72 111.03 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -140.63 45.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 71.129999999999995 109.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.0 p -89.4 -46.27 8.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 108.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 11.2 p-10 -108.69 76.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.400000000000006 109.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.914 HG22 ' OH ' ' A' ' 129' ' ' TYR . 1.1 m -83.18 -57.37 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.340000000000003 110.359 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -50.43 -26.54 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 62.130000000000003 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.89 -28.27 21.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 65.230000000000004 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' THR . 59.5 m-20 -86.7 -70.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 73.010000000000005 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.914 HG22 ' CD1' ' A' ' 136' ' ' LEU . 37.5 t -60.28 -66.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 72.430000000000007 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.0 -33.13 4.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 70.129999999999995 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 33.1 t -36.8 141.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 64.109999999999999 109.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -59.79 176.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 71.310000000000002 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 2' ' ' LEU . 33.3 t -82.96 -8.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -54.79 -67.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 70.439999999999998 110.311 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' HIS . . . . . 0.44 ' CB ' ' OG1' ' A' ' 131' ' ' THR . 0.0 OUTLIER -123.72 47.43 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 63.020000000000003 109.603 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.914 ' OH ' HG22 ' A' ' 118' ' ' THR . 3.4 t80 -67.77 -36.25 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 64.430000000000007 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 7' ' ' TYR . 2.4 mm? -68.02 -26.04 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 73.150000000000006 109.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.44 ' OG1' ' CB ' ' A' ' 128' ' ' HIS . 16.9 p -90.56 -30.51 17.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 75.510000000000005 110.413 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -16.28 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 65.310000000000002 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 79.6 t90 -88.26 -42.02 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 72.540000000000006 108.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.803 HD12 ' CE2' ' A' ' 137' ' ' TYR . 7.0 tp -58.23 -50.0 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.299999999999997 109.294 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.6 ' HA ' HG22 ' A' ' 138' ' ' ILE . 45.1 t -74.06 -0.01 15.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 75.400000000000006 110.007 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.914 ' CD1' HG22 ' A' ' 122' ' ' VAL . 2.9 tt -98.22 -43.79 6.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 61.43 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.803 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -89.66 -40.09 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.510000000000005 111.006 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.682 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 6.3 tp -56.95 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.6 mtp180 -64.58 -11.06 30.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 74.129999999999995 110.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 92' ' ' ASN . 24.0 mt -88.57 -10.89 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.424 ' CE2' ' HE1' ' A' ' 137' ' ' TYR . 96.9 m-85 -115.85 -28.08 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 111.017 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.568 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -147.99 117.93 7.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 42.520000000000003 109.266 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.649 HD12 ' CG ' ' A' ' 92' ' ' ASN . 8.4 mt -98.53 3.07 48.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 42.43 109.324 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -106.06 -18.16 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.329999999999998 109.304 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.9 t80 -101.22 102.31 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 72.439999999999998 110.99 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.94 93.62 30.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 72.420000000000002 109.312 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.977 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 72.450000000000003 110.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.542 0.21 . . . . 62.25 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.764 HD21 ' HB2' ' A' ' 7' ' ' TYR . 16.3 tp -50.81 110.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 73.340000000000003 109.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.501 HG23 ' OE1' ' A' ' 6' ' ' GLU . 60.7 p -77.51 -171.42 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 110.443 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -75.75 -45.66 4.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 109.326 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 71.420000000000002 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.732 ' HB3' HD12 ' A' ' 2' ' ' LEU . 26.3 mt-10 -88.51 -39.72 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 75.219999999999999 110.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.881 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.23 -36.68 19.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 111.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.587 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -63.92 -18.34 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.439999999999998 109.313 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -72.91 -24.6 60.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.109999999999999 110.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 21.3 mt-30 -111.49 12.04 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 75.329999999999998 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.881 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -58.81 -46.16 99.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.019999999999996 109.338 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.91 0.11 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 71.030000000000001 111.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -94.02 -33.6 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 71.25 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 130' ' ' LEU . 97.7 t -77.89 -39.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.150000000000006 109.268 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 43.3 ptt85 -66.39 -31.28 71.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.267 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.791 ' O ' HG23 ' A' ' 19' ' ' THR . 22.7 t -62.59 -60.85 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 64.219999999999999 110.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.955 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -59.16 -23.57 62.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 70.439999999999998 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -58.58 -21.14 52.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 53.329999999999998 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 16' ' ' SER . 60.9 p -68.4 -7.59 32.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 61.109999999999999 110.391 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 44.4 mttp -86.79 -29.77 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.776 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.6 t90 -59.17 108.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 75.25 108.039 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.68 ' HB2' HG13 ' A' ' 38' ' ' VAL . 3.6 mtmm -76.94 -26.25 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.109999999999999 109.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 15.6 t -70.91 124.63 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 73.230000000000004 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -113.17 -19.96 11.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 60.509999999999998 110.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.400000000000006 110.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -128.04 104.77 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 61.539999999999999 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' HD23 ' A' ' 34' ' ' LEU . 46.6 tt0 -132.35 156.02 47.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 71.209999999999994 110.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.2 p-10 -120.66 163.69 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.329999999999998 109.287 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG22 ' CA ' ' A' ' 34' ' ' LEU . 2.6 m -134.77 168.68 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.7 OUTLIER -65.49 93.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 71.310000000000002 110.317 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 78.74 52.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.276 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.78 -159.19 31.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 62.039999999999999 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -156.38 160.47 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 72.319999999999993 109.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.766 ' C ' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -146.56 106.86 4.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 110.293 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -105.45 163.52 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 71.209999999999994 109.277 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.47 95.17 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 72.299999999999997 109.289 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.776 HG21 ' CH2' ' A' ' 21' ' ' TRP . 18.6 t -84.01 146.31 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 72.349999999999994 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -111.33 85.09 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 71.109999999999999 110.319 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB3' HG21 ' A' ' 90' ' ' ILE . 28.4 mt -63.93 -51.48 64.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.329999999999998 109.321 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.4 ttmt -135.23 156.57 48.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.019999999999996 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -59.93 -15.96 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 74.040000000000006 110.397 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' LEU . 32.4 m-20 -123.99 17.48 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 42.119999999999997 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 66' ' ' TRP . 91.6 m -139.0 151.21 46.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.4 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.76 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -135.23 136.76 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 109.288 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.771 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.39 99.56 7.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.519 ' N ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -87.27 108.8 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.266 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.666 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 0.6 OUTLIER -95.66 139.14 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 70.209999999999994 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -134.5 112.12 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 109.633 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.3 tt -89.41 136.63 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 71.319999999999993 109.261 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.0 p90 -151.5 129.44 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.63 ' CD1' HD23 ' A' ' 4' ' ' LEU . 11.6 t80 -79.01 133.08 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 111.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CG ' HG12 ' A' ' 55' ' ' VAL . 13.0 t0 -102.31 119.71 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 70.530000000000001 109.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.12 3.6 22.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 109.6 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.698 ' CG1' ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -82.65 -36.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.698 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 28.0 m-85 -116.17 -7.55 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 110.979 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.521 ' O ' HG13 ' A' ' 58' ' ' VAL . 62.5 m-70 65.04 49.1 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.519999999999996 109.61 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -157.38 163.68 24.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.535 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 150.35 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 64.519999999999996 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 33.5 t -123.96 176.58 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 74.329999999999998 109.999 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.626 HD11 ' CG ' ' A' ' 137' ' ' TYR . 9.2 mt -137.18 141.18 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.509999999999998 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 13.4 ttpt -155.66 117.11 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 72.25 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 91' ' ' LEU . 38.7 p90 -136.13 164.6 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 64.319999999999993 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.767 ' HB3' HD11 ' A' ' 79' ' ' LEU . 10.0 mtm180 -137.28 134.18 35.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 72.319999999999993 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.045 HD11 HD13 ' A' ' 87' ' ' LEU . 83.2 mt -72.41 148.27 45.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 60.149999999999999 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.858 ' O ' HG23 ' A' ' 44' ' ' THR . 94.6 m95 -139.95 160.06 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 108.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.75 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.81 97.9 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 74.439999999999998 109.971 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.33 124.61 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 65.140000000000001 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.61 113.28 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.28 30.16 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 73.299999999999997 110.409 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -42.22 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 65.319999999999993 110.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.2 mt-10 -104.09 -15.5 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 54.439999999999998 110.335 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 5.8 t0 81.15 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 60.020000000000003 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.807 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -9.89 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 63.130000000000003 109.291 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.5 t 84.04 41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 71.329999999999998 109.994 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.807 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -75.34 176.33 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 62.310000000000002 110.007 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.484 HD12 ' C ' ' A' ' 77' ' ' LEU . 3.6 pp -168.38 162.98 12.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.343 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 67' ' ' SER . 7.0 tpt180 -155.41 131.41 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 73.299999999999997 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.4 tp -50.23 132.36 24.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 67' ' ' SER . 29.3 mt -99.51 162.63 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.338 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.4 p -156.67 111.47 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 110.416 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -142.0 167.0 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 72.519999999999996 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -55.62 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 75.129999999999995 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.94 -41.25 21.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 71.519999999999996 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -64.67 -36.57 84.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 75.519999999999996 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.582 ' HB3' HD12 ' A' ' 82' ' ' LEU . 3.7 mm-40 -75.13 -29.75 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.230000000000004 110.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.045 HD13 HD11 ' A' ' 65' ' ' LEU . 2.2 tp -82.73 -27.36 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.209999999999994 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -7.2 33.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 65.230000000000004 110.286 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.572 ' HB3' HD13 ' A' ' 90' ' ' ILE . 1.9 t -67.05 -25.26 66.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 110.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.677 HD13 ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.16 -37.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 73.510000000000005 109.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.875 ' CD1' HD11 ' A' ' 87' ' ' LEU . 92.6 mt -85.37 -179.66 7.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 62.200000000000003 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.533 ' CG ' HD12 ' A' ' 143' ' ' LEU . 69.7 m-80 -143.95 97.24 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 74.540000000000006 109.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.63 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.29 -58.2 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 109.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.62 -81.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 44.020000000000003 111.013 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.8 t -113.52 -21.41 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 73.230000000000004 110.43 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 140' ' ' ILE . 16.0 m-85 -65.03 -171.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 64.209999999999994 110.954 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.8 m -148.26 171.99 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 74.319999999999993 110.003 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 99' ' ' THR . 14.4 p -153.67 170.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.4 m -138.03 114.78 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.540000000000006 110.408 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.96 HD22 ' CE1' ' A' ' 111' ' ' TYR . 1.6 tp -93.99 120.85 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.219999999999999 109.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.469 ' N ' HD12 ' A' ' 100' ' ' LEU . 5.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 53.530000000000001 110.004 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.016 -0.364 . . . . 65.120000000000005 110.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.714 ' HB ' HD21 ' A' ' 79' ' ' LEU . 60.7 t -149.42 152.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.119999999999997 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -148.65 160.2 43.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 110.963 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.96 ' CE1' HD22 ' A' ' 100' ' ' LEU . 32.8 m-85 -119.66 80.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.140000000000001 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 89.7 m-85 -68.41 109.02 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.947 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 6.4 mt -75.73 142.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 42.329999999999998 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.22 112.92 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 63.100000000000001 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 20.9 t30 -119.57 8.58 11.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 72.329999999999998 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.0 p -70.15 -29.73 66.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 71.319999999999993 108.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.67 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 65.519999999999996 109.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m -83.21 -62.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 110.423 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.82 -21.5 63.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.040000000000006 109.275 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.98 31.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -93.73 -69.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 75.540000000000006 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.891 HG22 HD13 ' A' ' 136' ' ' LEU . 3.3 t -76.02 -65.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 74.349999999999994 109.326 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.14 -116.79 5.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 75.319999999999993 111.041 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.609 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.9 p -86.22 -99.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 74.420000000000002 109.998 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 124' ' ' SER . 2.3 m-20 34.79 53.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.76 -8.49 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.049999999999997 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -67.63 -66.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.340000000000003 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 47.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 74.5 109.597 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 124' ' ' SER . 5.2 t80 -74.03 -41.14 62.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.716 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.0 mm? -67.68 -27.73 67.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 64.420000000000002 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.6 p -88.07 -34.89 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 72.219999999999999 110.383 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.8 tpt85 -84.72 -17.12 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 64.519999999999996 110.318 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.515 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 81.8 t90 -84.36 -45.39 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.972 -1.122 . . . . 74.120000000000005 107.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.843 HD12 ' CE2' ' A' ' 137' ' ' TYR . 8.0 tp -56.68 -53.78 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 72.349999999999994 109.352 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.591 ' HA ' HG22 ' A' ' 138' ' ' ILE . 37.6 t -71.31 1.47 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.979 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.891 HD13 HG22 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.74 -45.88 6.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 109.312 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.843 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -94.26 -42.95 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 110.995 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 134' ' ' ILE . 5.9 tp -48.36 -24.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.319999999999993 109.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 135' ' ' SER . 46.4 mtp85 -59.73 -39.26 84.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 110.297 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 92' ' ' ASN . 72.4 mt -61.51 -11.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 63.350000000000001 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.666 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 82.0 m-85 -112.59 -31.76 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 71.239999999999995 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 145' ' ' PHE . 17.7 t0 -148.51 106.97 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 43.130000000000003 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 92' ' ' ASN . 7.0 mt -90.06 3.18 54.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 75.340000000000003 109.257 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.62 -18.74 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 61.219999999999999 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 3.3 t80 -102.92 109.39 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.230000000000004 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.87 92.0 37.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 71.349999999999994 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' PRO . . . . . 0.955 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 74.239999999999995 111.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.824 ' OG ' HG13 ' A' ' 58' ' ' VAL . 6.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.013 -0.366 . . . . 74.120000000000005 110.013 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.13 0.24 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 75.200000000000003 110.979 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.748 HD13 HG13 ' A' ' 126' ' ' VAL . 13.8 tp -50.59 106.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 70.439999999999998 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 70.0 p -74.96 -171.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 51.109999999999999 110.386 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.54 -45.32 3.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 71.140000000000001 109.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -12.74 21.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 74.219999999999999 111.041 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.1 mm-40 -88.57 -33.09 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.329999999999998 110.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.657 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.68 -24.95 22.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 75.349999999999994 110.982 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.42 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -76.47 -16.65 59.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 52.409999999999997 109.319 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 70.230000000000004 110.25 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 15.7 mt-30 -114.04 15.44 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.325 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -60.97 -48.38 92.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 55.530000000000001 109.273 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 71.299999999999997 111.007 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.3 m-20 -92.4 -34.15 14.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 130' ' ' LEU . 24.7 t -69.6 -49.4 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 75.200000000000003 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 19' ' ' THR . 6.2 ptm180 -65.88 -34.41 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -54.49 -43.81 72.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 110.001 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.9 pp -85.19 -32.28 22.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 71.430000000000007 109.312 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.841 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.5 tp -55.9 -26.77 48.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 65.129999999999995 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.908 HG23 ' O ' ' A' ' 15' ' ' ARG . 72.3 p -55.36 -27.91 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 110.403 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 30.5 mttm -58.41 -30.4 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.855 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -50.91 130.02 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 60.520000000000003 107.995 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.83 -15.51 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' HB2' HG13 ' A' ' 38' ' ' VAL . 3.4 mtmm -85.33 -26.54 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 52.020000000000003 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 10.7 t -63.81 117.16 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 62.439999999999998 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 29.4 tt0 -107.68 -26.84 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 64.329999999999998 110.328 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -124.88 144.89 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.120000000000005 110.342 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 HD23 ' A' ' 36' ' ' LEU . 2.1 mm -130.85 103.85 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 61.520000000000003 109.245 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' HD23 ' A' ' 34' ' ' LEU . 31.9 tt0 -131.28 135.6 47.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 62.130000000000003 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 34' ' ' LEU . 7.4 t70 -101.19 161.06 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 64.140000000000001 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.8 m -135.02 168.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.04 32.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 72.310000000000002 110.275 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -168.35 32.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 64.349999999999994 109.289 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' HD11 ' A' ' 11' ' ' ILE . . . 136.75 -119.02 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 63.539999999999999 110.952 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -165.71 153.94 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 0.811 . . . . 73.310000000000002 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -134.59 106.18 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 70.519999999999996 110.333 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.707 ' CD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.99 165.02 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 73.25 109.315 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.827 ' OD1' HD21 ' A' ' 45' ' ' LEU . 2.8 t0 -119.48 96.01 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.120000000000005 109.276 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.855 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 15.7 t -86.49 126.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 73.430000000000007 109.253 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 8.4 tpp180 -94.99 89.2 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 61.200000000000003 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' ' 46' ' ' LEU . 9.3 mp -68.46 -32.58 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.5 ttmm -149.28 156.47 42.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.219999999999999 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.37 -19.36 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 64.040000000000006 110.411 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.65 15.19 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.530000000000001 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.452 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 5.7 m -135.92 123.62 22.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.319999999999993 110.439 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.827 HD21 ' OD1' ' A' ' 37' ' ' ASP . 1.3 tm? -121.12 134.92 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 61.109999999999999 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.826 HD21 ' CD1' ' A' ' 63' ' ' PHE . 3.4 tm? -117.7 105.25 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 62.140000000000001 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.8 tp10 -78.79 102.31 8.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 74.140000000000001 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.7 tm? -81.16 121.04 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.539 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.8 m170 -121.14 116.33 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 74.040000000000006 109.595 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.8 tt -100.7 137.34 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 54.43 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 6.3 p90 -151.25 142.32 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 75.329999999999998 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 33.9 t80 -83.41 150.93 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 71.099999999999994 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.55 ' OD2' HG23 ' A' ' 55' ' ' VAL . 36.9 t0 -130.21 114.68 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 51.100000000000001 109.33 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.439 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 3.5 m-70 -73.63 -4.45 34.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.586 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG23 ' OD2' ' A' ' 53' ' ' ASP . 75.9 t -60.88 -45.14 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 74.400000000000006 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.498 ' CD1' HG12 ' A' ' 55' ' ' VAL . 43.6 m-85 -119.14 0.96 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.310000000000002 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 64.89 44.04 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 51.409999999999997 109.581 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.824 HG13 ' OG ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.66 165.19 18.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 75.329999999999998 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 18.2 Cg_endo -75.03 159.61 41.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 72.409999999999997 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.636 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 18.5 m -124.96 176.23 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 54.420000000000002 109.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.69 HG21 HD12 ' A' ' 113' ' ' ILE . 7.0 mt -138.56 129.2 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 65.010000000000005 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 8.3 ttpt -147.34 117.06 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 65.310000000000002 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.826 ' CD1' HD21 ' A' ' 46' ' ' LEU . 7.5 p90 -130.78 165.4 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.579 ' HB3' HD11 ' A' ' 79' ' ' LEU . 8.6 mtp180 -139.0 137.01 35.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.944 ' O ' HD12 ' A' ' 79' ' ' LEU . 35.9 mt -82.25 142.31 32.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 96.0 m95 -130.32 160.41 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 64.450000000000003 107.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.82 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -130.68 97.46 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 75.450000000000003 110.017 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.77 125.44 26.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 72.109999999999999 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -123.01 112.58 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.14 34.32 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 73.209999999999994 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.74 -44.49 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 110.312 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -103.24 -12.86 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER 81.69 53.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.310000000000002 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.821 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -6.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 55.229999999999997 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.9 t 74.78 44.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.420000000000002 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.821 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -84.81 176.47 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.200000000000003 110.021 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -165.94 166.14 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 73.010000000000005 109.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -155.48 134.54 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 75.150000000000006 110.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.944 HD12 ' O ' ' A' ' 65' ' ' LEU . 33.2 tp -55.14 141.88 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 70.049999999999997 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 67' ' ' SER . 95.0 mt -111.01 162.39 14.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.2 p -154.95 120.31 5.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 110.461 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -144.56 167.08 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 73.109999999999999 109.257 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -69.05 -175.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 61.240000000000002 109.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -67.62 -54.97 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 65.430000000000007 109.324 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -50.11 -37.69 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.981 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.439 ' HB3' HD12 ' A' ' 82' ' ' LEU . 7.9 mt-10 -81.11 -32.24 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 74.409999999999997 110.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.059 HD21 HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -75.76 -17.69 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.329999999999998 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -86.05 -17.65 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 62.299999999999997 110.285 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -57.59 -17.2 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.5 110.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.522 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.72 -48.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 64.140000000000001 109.281 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.059 HD12 HD21 ' A' ' 87' ' ' LEU . 19.9 mt -79.44 166.73 21.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 62.509999999999998 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.846 ' CG ' HD12 ' A' ' 143' ' ' LEU . 65.5 m-80 -124.56 103.33 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.420000000000002 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -92.88 -58.13 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 70.140000000000001 109.272 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.87 -88.14 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 45.219999999999999 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.2 t -120.21 -5.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 73.329999999999998 110.417 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.27 -170.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.2 m -146.73 147.27 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.140000000000001 110.012 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 p -140.64 158.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 m -133.81 108.12 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.230000000000004 110.385 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.971 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.2 tt -99.44 123.39 43.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 71.349999999999994 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.502 ' N ' HD23 ' A' ' 100' ' ' LEU . 11.9 t -132.47 141.93 49.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 33.509999999999998 110.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.634 HG22 ' HB ' ' A' ' 109' ' ' VAL . 2.3 p -96.75 165.17 12.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 71.420000000000002 110.386 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -86.96 168.2 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 71.340000000000003 109.26 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.7 ttt -56.42 -34.97 67.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 53.530000000000001 110.946 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -78.52 -11.46 59.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 63.420000000000002 110.301 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.7 mtp 58.1 25.76 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 75.420000000000002 110.985 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -17.49 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.519999999999996 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.98 147.12 50.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.420000000000002 110.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.773 HG21 HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -149.54 163.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 72.120000000000005 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -141.51 157.84 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.099999999999994 111.017 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.971 ' CE1' HD12 ' A' ' 100' ' ' LEU . 22.6 m-85 -111.04 79.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 75.450000000000003 111.035 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 76.5 m-85 -70.78 104.15 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 61.009999999999998 110.978 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 61' ' ' ILE . 6.0 mt -70.46 139.13 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -60.02 111.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 54.219999999999999 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -139.09 47.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 61.100000000000001 109.287 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 20.3 p -88.63 -46.03 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 108.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' CG ' ' HB2' ' A' ' 120' ' ' ALA . 19.6 t0 -112.22 76.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 54.030000000000001 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.643 HG22 HG11 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -83.08 -50.24 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.549999999999997 110.402 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' N ' ' CG2' ' A' ' 118' ' ' THR . 2.7 p30 -49.4 -26.11 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 74.109999999999999 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.43 ' HB2' ' CG ' ' A' ' 117' ' ' ASP . . . -67.55 -39.96 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.310000000000002 109.302 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HB3' HD11 ' A' ' 136' ' ' LEU . 72.9 m-20 -94.57 -64.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.310000000000002 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.852 HG11 ' CE1' ' A' ' 129' ' ' TYR . 14.2 t -52.4 -65.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 71.319999999999993 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' ASP . . . 132.49 -153.34 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 126' ' ' VAL . 9.5 m -113.58 -15.37 12.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 60.009999999999998 110.014 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.57 92.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.338 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.748 HG13 HD13 ' A' ' 2' ' ' LEU . 17.1 t -73.74 -8.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 72.319999999999993 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 16.5 mt-10 -68.5 -67.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 72.239999999999995 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.65 46.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.6 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.852 ' CE1' HG11 ' A' ' 122' ' ' VAL . 1.2 t80 -79.73 -49.02 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 64.450000000000003 110.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.834 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.5 mm? -59.25 -26.36 64.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.29 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -88.42 -51.93 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 64.319999999999993 110.431 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 4.4 tpt180 -65.71 -17.22 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 72.239999999999995 110.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.619 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 67.7 t90 -83.95 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 75.109999999999999 107.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.834 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.2 tp -53.92 -56.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.329 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.48 ' N ' HG23 ' A' ' 134' ' ' ILE . 32.7 t -55.18 -17.6 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 110.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.5 ' C ' HD23 ' A' ' 136' ' ' LEU . 1.9 tt -92.92 -32.63 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 71.099999999999994 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 11.9 m-85 -94.75 -2.28 51.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 134' ' ' ILE . 3.9 tp -86.36 -19.8 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.239999999999995 109.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -67.88 -7.99 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 110.34 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 92' ' ' ASN . 21.8 mt -93.79 -10.61 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 64.400000000000006 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.647 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.6 m-85 -111.51 -39.9 4.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 73.319999999999993 110.969 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.93 116.17 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 74.430000000000007 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.846 HD12 ' CG ' ' A' ' 92' ' ' ASN . 1.1 mt -90.98 3.1 55.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 109.326 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -102.61 -11.89 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 51.229999999999997 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.5 t80 -111.32 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 74.140000000000001 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.93 95.24 37.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.549999999999997 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.769 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 71.549999999999997 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.982 -0.377 . . . . 71.540000000000006 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 47.16 22.93 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 73.530000000000001 111.028 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.797 HD13 HG13 ' A' ' 126' ' ' VAL . 22.2 tp -74.83 111.41 10.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 74.540000000000006 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.487 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.2 p -76.54 -171.62 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 61.200000000000003 110.409 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -76.29 -45.65 3.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 60.219999999999999 109.289 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -9.96 21.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 51.229999999999997 111.018 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.671 ' HB3' HD12 ' A' ' 2' ' ' LEU . 3.7 mm-40 -88.33 -35.62 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 72.329999999999998 110.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.731 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.67 -32.29 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 111.017 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -69.03 -16.3 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 63.25 109.298 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -73.37 -23.93 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 55.109999999999999 110.253 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -111.13 12.74 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 71.310000000000002 110.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -56.91 -47.49 98.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 72.510000000000005 109.322 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -74.99 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.481 1.779 . . . . 73.230000000000004 111.028 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.86 -35.22 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.349999999999994 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 130' ' ' LEU . 31.0 t -67.43 -47.46 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 71.230000000000004 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.899 ' O ' HG23 ' A' ' 19' ' ' THR . 21.8 ptt85 -66.93 -35.0 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 110.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -53.33 -43.7 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 53.520000000000003 110.017 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.856 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -84.99 -32.0 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.797 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.5 tp -56.54 -23.37 39.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 52.43 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 15' ' ' ARG . 72.5 p -60.52 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 71.540000000000006 110.411 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 1.3 mmmp? -58.68 -30.72 67.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 62.409999999999997 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 1.047 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.1 t90 -48.86 118.75 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.005 -1.109 . . . . 73.439999999999998 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.09 -14.07 45.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 65.340000000000003 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.758 ' HB2' HG13 ' A' ' 38' ' ' VAL . 1.7 mtmm -85.99 -26.31 25.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 41.109999999999999 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' CD2' ' A' ' 21' ' ' TRP . 4.1 t -61.55 141.86 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -118.79 -37.21 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 63.420000000000002 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -132.97 133.91 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 72.150000000000006 110.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -113.38 117.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.150000000000006 109.276 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.714 ' O ' HD23 ' A' ' 34' ' ' LEU . 55.6 tt0 -138.75 145.12 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 110.275 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.45 160.86 15.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 72.030000000000001 109.289 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' C ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -137.04 174.99 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.409999999999997 109.272 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -62.55 92.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.82 48.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 72.510000000000005 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 177.93 -170.4 42.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 62.329999999999998 111.0 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -157.65 140.84 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 52.549999999999997 109.302 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.81 ' C ' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -126.69 105.3 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 71.439999999999998 110.324 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.96 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.49 171.04 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 73.230000000000004 109.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.94 94.57 4.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 53.409999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.047 HG21 ' CH2' ' A' ' 21' ' ' TRP . 29.7 t -90.42 131.2 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.549999999999997 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.445 ' NH1' HD13 ' A' ' 68' ' ' LEU . 5.9 tpp180 -105.01 90.99 3.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 74.120000000000005 110.34 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.63 HD12 HG12 ' A' ' 38' ' ' VAL . 8.3 mp -69.38 -36.3 76.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 71.099999999999994 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.0 ttmt -140.51 156.52 46.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 64.340000000000003 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -60.45 -14.64 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 110.382 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -129.02 19.8 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 61.130000000000003 109.269 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 24.8 m -135.5 148.44 49.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 73.540000000000006 110.427 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 38' ' ' VAL . 1.5 tm? -141.48 129.45 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 70.340000000000003 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.721 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.3 tm? -115.68 96.28 5.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.439999999999998 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -74.62 122.09 22.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.37 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.7 tm? -105.16 125.33 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.150000000000006 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.542 ' N ' HD13 ' A' ' 48' ' ' LEU . 6.7 m170 -121.95 124.04 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 74.209999999999994 109.596 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.1 tt -102.14 126.22 56.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.230000000000004 109.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 20.4 p90 -143.77 150.01 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 111.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.653 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -105.7 151.37 24.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.973 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' CD2' ' A' ' 56' ' ' TYR . 57.9 t0 -111.33 133.84 53.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 44.130000000000003 109.27 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -88.18 3.41 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 73.030000000000001 109.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -104.81 -17.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.703 ' O ' HG22 ' A' ' 58' ' ' VAL . 18.9 m-30 -116.55 -13.65 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 75.319999999999993 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' O ' HG13 ' A' ' 58' ' ' VAL . 34.4 m-70 57.51 37.81 27.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 70.25 109.625 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -156.8 162.03 28.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 74.099999999999994 109.281 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 118' ' ' THR . 18.3 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 61.310000000000002 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.573 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -138.12 -174.21 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 73.349999999999994 110.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.574 HG13 ' CD1' ' A' ' 137' ' ' TYR . 1.6 mm -138.32 138.6 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 74.340000000000003 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.538 ' HZ3' ' HD1' ' A' ' 110' ' ' TYR . 10.1 tttp -155.43 130.57 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.25 109.266 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 22.7 p90 -148.51 173.89 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 61.340000000000003 111.012 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.835 ' HB3' HD11 ' A' ' 79' ' ' LEU . 19.2 mtm180 -147.25 134.14 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 70.530000000000001 110.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 79' ' ' LEU . 77.3 mt -76.44 144.38 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 74.200000000000003 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.726 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 80.4 m95 -138.72 152.98 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 74.319999999999993 108.039 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.87 ' HB2' HD11 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -129.15 97.7 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 73.530000000000001 109.982 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.445 HD13 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.8 124.97 22.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 72.25 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.19 113.65 22.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.049999999999997 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.7 36.61 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.91 -40.32 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.120000000000005 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.615 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.9 mt-10 -106.95 -3.12 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 110.248 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 66.86 50.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.450000000000003 109.286 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.74 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.86 -8.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 71.140000000000001 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.6 t 79.11 44.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 33.340000000000003 110.04 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.74 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.68 177.29 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.439999999999998 109.979 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -169.16 165.71 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 74.5 109.313 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -155.15 145.42 21.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 63.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.88 HD12 ' O ' ' A' ' 65' ' ' LEU . 21.6 tp -66.24 130.6 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 61.439999999999998 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.87 HD11 ' HB2' ' A' ' 67' ' ' SER . 30.2 mt -95.24 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 93.96 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.120000000000005 110.407 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -126.47 167.0 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 109.267 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 t -71.94 -168.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 34.520000000000003 109.972 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -72.77 -54.85 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 73.439999999999998 109.294 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.7 m -39.23 -30.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 65.400000000000006 110.045 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.844 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.9 mt-10 -87.01 -47.89 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 50.219999999999999 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.666 ' CD1' HD11 ' A' ' 65' ' ' LEU . 50.5 tp -54.89 -58.53 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 51.409999999999997 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -29.48 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 110.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.0 t -45.15 -28.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 63.020000000000003 110.034 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.69 -41.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 64.109999999999999 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 7.8 mt -75.32 165.15 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.310000000000002 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.807 ' O ' HG23 ' A' ' 140' ' ' ILE . 67.9 m-80 -126.78 103.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 64.430000000000007 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.59 -58.01 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 53.439999999999998 109.306 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.16 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 62.450000000000003 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.9 t -113.65 -18.67 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 71.439999999999998 110.359 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 140' ' ' ILE . 3.0 m-85 -74.03 -173.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 64.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.4 m -143.99 -175.76 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 62.43 109.967 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.754 HG23 HG12 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -150.14 169.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 53.119999999999997 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' TYR . 2.2 m -149.01 105.78 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 110.394 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.882 HD21 ' CG1' ' A' ' 109' ' ' VAL . 3.0 tt -94.45 128.48 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.353 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.679 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.1 t -133.44 150.34 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 64.420000000000002 110.024 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 106' ' ' MET . 67.5 m -132.52 144.18 50.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 110.411 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.66 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 71.109999999999999 109.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -63.24 -12.94 32.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 73.549999999999997 110.983 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -91.15 -21.86 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 52.140000000000001 110.271 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.477 ' HA ' HG22 ' A' ' 102' ' ' THR . 3.4 ttp 59.54 20.33 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 72.439999999999998 111.023 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.35 -16.02 22.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 70.099999999999994 109.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.6 p -132.12 152.47 51.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 70.150000000000006 110.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.882 ' CG1' HD21 ' A' ' 100' ' ' LEU . 16.2 t -145.66 155.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 73.420000000000002 109.239 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.538 ' HD1' ' HZ3' ' A' ' 62' ' ' LYS . 5.1 m-85 -146.5 151.87 38.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 75.430000000000007 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.825 ' CE1' HD12 ' A' ' 100' ' ' LEU . 12.4 m-85 -117.88 74.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 54.32 111.026 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 83.3 m-85 -64.02 113.89 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 71.150000000000006 111.019 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.754 HG12 HG23 ' A' ' 98' ' ' VAL . 2.4 mt -82.66 127.7 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 65.409999999999997 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 113' ' ' ILE . 3.4 m120 -40.02 117.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 64.219999999999999 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 60' ' ' SER . 7.7 p-10 -136.73 12.4 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 74.109999999999999 109.253 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -60.16 -47.59 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 108.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.551 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -92.72 57.62 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.585 HG21 ' HB ' ' A' ' 58' ' ' VAL . 1.8 m -71.68 -45.57 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.5 110.403 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.32 -28.37 69.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 73.209999999999994 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.59 -11.7 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 55.119999999999997 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -85.38 -63.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.430000000000007 109.319 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.581 HG22 HD13 ' A' ' 136' ' ' LEU . 2.8 t -93.89 -65.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 37.19 32.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 71.099999999999994 111.003 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 122' ' ' VAL . 94.8 p -82.85 -75.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 73.239999999999995 110.017 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.417 ' N ' ' OG ' ' A' ' 124' ' ' SER . 19.0 m-20 -157.13 135.97 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 63.32 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.797 HG13 HD13 ' A' ' 2' ' ' LEU . 20.8 t -63.09 -13.8 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 71.120000000000005 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.91 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.5 110.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.4 46.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 72.230000000000004 109.604 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.417 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 3.4 t80 -78.62 -42.16 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.430000000000007 111.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.82 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.4 mm? -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.1 p -90.03 -50.74 5.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 75.329999999999998 110.383 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 12.2 ttt180 -66.11 -17.05 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.651 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 63.1 t90 -85.81 -62.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 108.058 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.82 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -52.59 -54.43 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 134' ' ' ILE . 47.7 t -56.76 -16.83 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 41.32 109.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.692 ' CD2' ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -92.43 -33.81 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 16.2 m-85 -94.15 -2.44 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.540000000000006 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.2 tp -88.14 -22.6 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 75.209999999999994 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.572 ' NH2' HG11 ' A' ' 146' ' ' VAL . 46.2 mtt-85 -68.5 -7.93 36.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 110.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.807 HG23 ' O ' ' A' ' 92' ' ' ASN . 13.5 mt -90.27 -10.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 73.299999999999997 109.294 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.41 -28.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 64.109999999999999 111.021 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.56 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.07 119.93 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 109.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.67 HD12 ' CG ' ' A' ' 92' ' ' ASN . 5.3 mt -98.68 2.72 47.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 72.129999999999995 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.43 -17.06 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.230000000000004 109.34 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 0.8 OUTLIER -105.87 109.34 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.319999999999993 110.958 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.572 HG11 ' NH2' ' A' ' 139' ' ' ARG . 0.0 OUTLIER -117.82 96.04 48.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 72.120000000000005 109.31 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.856 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 75.439999999999998 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.478 ' OG ' ' CG1' ' A' ' 58' ' ' VAL . 1.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.001 -0.37 . . . . 61.409999999999997 110.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.24 20.79 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.450000000000003 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.047 HD13 HG13 ' A' ' 126' ' ' VAL . 33.3 tp -50.68 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 53.210000000000001 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -54.11 166.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 62.420000000000002 110.392 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -71.36 -44.93 13.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.109999999999999 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -11.57 21.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 75.299999999999997 111.019 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -88.74 -36.03 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 110.334 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.902 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -84.29 -20.25 32.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 111.023 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 17.7 m-20 -79.27 -16.51 56.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 64.219999999999999 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -72.35 -23.87 61.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 74.25 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.8 mt-30 -111.56 15.7 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -62.77 -48.1 86.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 71.219999999999999 110.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.6 m-20 -90.91 -36.6 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 53.310000000000002 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.739 HG13 HG12 ' A' ' 134' ' ' ILE . 24.5 t -66.56 -54.59 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 72.510000000000005 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.934 ' O ' HG23 ' A' ' 19' ' ' THR . 9.8 ptt180 -63.5 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -51.21 -44.07 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 63.329999999999998 109.976 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -87.23 -30.9 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 72.010000000000005 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.832 ' N ' HD12 ' A' ' 17' ' ' LEU . 7.3 tp -57.84 -19.99 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 15' ' ' ARG . 82.2 p -63.79 -11.77 29.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.010000000000005 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -78.51 -26.8 45.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 71.140000000000001 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.787 ' CH2' HG11 ' A' ' 38' ' ' VAL . 4.6 t90 -59.42 134.46 57.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 71.519999999999996 108.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.94 -10.26 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 63.020000000000003 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 18.4 mmmt -81.75 -26.25 34.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 74.310000000000002 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG23 ' CE3' ' A' ' 21' ' ' TRP . 87.1 t -69.38 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 109.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -112.32 -37.57 4.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 64.5 110.287 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -127.13 136.12 51.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 51.219999999999999 110.282 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.532 HD13 HD23 ' A' ' 36' ' ' LEU . 2.3 mm -119.57 106.14 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 73.319999999999993 109.268 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.493 ' O ' HD23 ' A' ' 34' ' ' LEU . 31.9 tt0 -129.67 135.58 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.58 ' HA ' HD23 ' A' ' 34' ' ' LEU . 15.2 p-10 -96.74 164.0 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 65.319999999999993 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.6 m -138.71 168.34 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 63.420000000000002 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.7 37.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 62.039999999999999 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -177.34 36.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 60.439999999999998 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.87 -124.22 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 71.129999999999995 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -162.94 149.33 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 41.229999999999997 109.307 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -130.04 115.26 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 52.509999999999998 110.326 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.794 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -123.9 172.17 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 109.298 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.719 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -131.6 96.69 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.099999999999994 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.929 ' O ' HD22 ' A' ' 45' ' ' LEU . 2.8 t -85.13 148.62 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 73.329999999999998 109.27 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.19 79.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.249 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.04 HD13 HD12 ' A' ' 90' ' ' ILE . 14.4 mt -51.48 -45.93 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 60.530000000000001 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -136.51 158.89 43.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 71.200000000000003 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -61.45 -13.34 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 75.299999999999997 110.375 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.0 12.61 6.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 63.409999999999997 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 66' ' ' TRP . 62.7 m -129.09 156.94 43.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 73.019999999999996 110.387 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 38' ' ' VAL . 2.2 tm? -136.24 143.82 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.409999999999997 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm? -128.27 104.99 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 55.229999999999997 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 0.9 OUTLIER -90.53 121.78 32.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 73.230000000000004 110.292 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.766 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 0.4 OUTLIER -108.79 128.42 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 72.299999999999997 109.36 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 3.9 m170 -124.39 104.04 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 109.595 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 13.8 tt -85.12 143.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.200000000000003 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 14.4 p90 -154.8 -178.49 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.040000000000006 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.617 ' CG ' HD23 ' A' ' 4' ' ' LEU . 32.6 t80 -98.36 143.14 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 111.008 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' HIS . 17.2 t0 -113.94 82.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 73.140000000000001 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.491 ' CE1' ' CD2' ' A' ' 52' ' ' TYR . 50.3 m-70 -55.96 -18.81 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.626 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 56' ' ' TYR . 92.2 t -57.01 -43.61 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.409999999999997 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 55' ' ' VAL . 14.9 m-85 -122.56 3.11 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 75.340000000000003 110.979 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 32.6 m-70 60.21 49.09 7.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 73.140000000000001 109.612 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.662 ' HB ' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -150.24 164.03 22.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 71.230000000000004 109.318 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 147.46 33.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 73.409999999999997 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 10.3 t -128.71 179.92 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.983 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 5.4 mt -134.83 143.01 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 0.5 OUTLIER -155.42 118.45 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 75.540000000000006 109.29 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 21.2 p90 -134.27 171.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.329999999999998 110.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 13.8 mtm180 -140.78 124.9 17.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 110.275 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 79' ' ' LEU . 72.3 mt -67.0 146.92 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 74.030000000000001 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.612 ' O ' HG23 ' A' ' 44' ' ' THR . 86.0 m95 -139.98 154.11 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 108.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.818 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.55 97.66 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 74.230000000000004 110.019 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -66.87 123.71 20.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 63.119999999999997 109.312 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.65 109.43 16.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 34.83 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.420000000000002 110.425 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -42.89 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 65.230000000000004 110.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.9 mt-10 -105.81 -11.57 16.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 71.239999999999995 110.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.77 52.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -112.8 -3.47 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 44.310000000000002 109.268 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t 70.75 41.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 110.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.834 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -80.03 175.02 11.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 31.23 110.023 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.6 pp -169.33 162.92 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 60.140000000000001 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.82 134.5 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 110.27 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.928 HD21 ' HB ' ' A' ' 109' ' ' VAL . 7.3 tp -55.12 125.32 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 75.150000000000006 109.357 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.818 HD11 ' HB2' ' A' ' 67' ' ' SER . 30.1 mt -90.42 142.66 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 71.099999999999994 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -137.04 96.26 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.239999999999995 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -129.86 167.17 18.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.304 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -65.3 -171.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 70.310000000000002 110.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' ARG . 67.4 m-20 -73.12 -36.43 66.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 51.219999999999999 109.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -48.26 -42.24 30.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 109.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.829 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.3 mt-10 -82.55 -45.23 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 73.239999999999995 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.21 -20.06 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 73.400000000000006 109.273 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.472 ' N ' HD13 ' A' ' 87' ' ' LEU . 1.9 tmt_? -89.54 -20.51 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 64.030000000000001 110.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -59.73 -15.99 24.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 110.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.04 HD12 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -123.77 -47.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 74.510000000000005 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.69 HD12 HD21 ' A' ' 87' ' ' LEU . 3.2 mt -79.34 173.24 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 45.140000000000001 109.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.751 ' CG ' HD12 ' A' ' 143' ' ' LEU . 64.7 m-80 -136.48 106.07 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.439999999999998 109.262 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.81 -58.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.340000000000003 109.252 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.96 -81.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 45.039999999999999 111.04 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.9 t -113.59 -20.76 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 60.119999999999997 110.373 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.36 -176.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.540000000000006 110.965 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.457 ' CB ' ' ND2' ' A' ' 114' ' ' ASN . 2.2 m -144.88 160.0 41.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 62.439999999999998 109.965 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 99' ' ' THR . 8.1 p -135.27 168.53 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.040000000000006 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.447 ' H ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -141.99 109.53 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 51.130000000000003 110.424 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.847 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -90.37 126.3 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 52.340000000000003 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.526 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.8 t -119.15 137.73 53.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 41.329999999999998 109.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.729 HG23 HG22 ' A' ' 109' ' ' VAL . 12.7 m -144.67 151.49 39.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 73.010000000000005 110.388 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -98.07 161.45 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 109.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -52.06 -37.72 54.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.200000000000003 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -29.29 53.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 70.329999999999998 110.312 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 31.9 mtp 62.24 24.09 14.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 64.420000000000002 111.023 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.32 -35.36 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 62.25 109.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m -110.28 133.25 53.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 55.149999999999999 109.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.928 ' HB ' HD21 ' A' ' 79' ' ' LEU . 85.1 t -146.13 161.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 55.340000000000003 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 109' ' ' VAL . 1.5 m-85 -153.29 179.55 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.209999999999994 110.998 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.847 ' CE1' HD12 ' A' ' 100' ' ' LEU . 41.4 m-85 -137.67 81.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.549999999999997 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.569 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 80.8 m-85 -70.84 108.54 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 53.240000000000002 111.03 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.442 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.9 mt -69.49 146.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 73.540000000000006 109.323 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.457 ' ND2' ' CB ' ' A' ' 97' ' ' SER . 4.1 m-20 -66.92 110.32 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.308 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 32.9 t30 -129.73 38.06 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 65.120000000000005 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.09 -45.7 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 62.420000000000002 108.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -95.3 61.83 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 73.409999999999997 109.312 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.662 HG21 ' HB ' ' A' ' 58' ' ' VAL . 97.3 m -65.82 -60.21 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 70.010000000000005 110.387 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.54 -12.1 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 63.25 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 11.1 m-20 -84.8 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.450000000000003 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 129' ' ' TYR . 7.0 p -104.96 -51.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.507 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 37.41 38.33 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -73.93 -80.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 62.43 109.975 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -161.27 138.92 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.450000000000003 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.047 HG13 HD13 ' A' ' 2' ' ' LEU . 41.1 t -62.82 -14.01 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.409999999999997 109.331 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.32 -67.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 61.25 110.279 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -116.65 46.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.589 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.558 ' CE1' HG13 ' A' ' 122' ' ' VAL . 3.7 t80 -75.24 -37.46 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.902 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.6 mm? -58.44 -28.81 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 75.450000000000003 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 134' ' ' ILE . 18.3 p -88.53 -49.34 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 64.109999999999999 110.433 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -66.25 -16.86 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 73.239999999999995 110.356 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.646 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 69.9 t90 -87.08 -60.92 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.948 -1.13 . . . . 73.030000000000001 107.948 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.83 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -54.18 -54.42 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 61.049999999999997 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 134' ' ' ILE . 41.3 t -57.43 -15.62 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 61.299999999999997 110.011 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -93.89 -34.67 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 9.0 m-85 -94.35 -2.24 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 71.030000000000001 111.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.8 tp -84.22 -29.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 65.129999999999995 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 139' ' ' ARG . 14.5 mtm105 -60.11 -30.11 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.219999999999999 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 92' ' ' ASN . 11.2 mt -67.75 -9.37 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 55.439999999999998 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 98.0 m-85 -119.05 -31.66 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.57 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 1.1 p30 -148.51 107.46 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 64.450000000000003 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.751 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.4 mt -86.25 3.25 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 73.340000000000003 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.62 -12.08 17.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 18.3 t80 -121.02 108.92 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.230000000000004 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.13 94.32 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 72.200000000000003 109.339 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.79 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 73.099999999999994 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.56 ' N ' HG13 ' A' ' 58' ' ' VAL . 1.9 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.009 -0.367 . . . . 71.140000000000001 110.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' HG23 ' A' ' 3' ' ' THR . 11.9 ptm -118.16 -11.13 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 65.010000000000005 110.974 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.821 HD12 HG13 ' A' ' 126' ' ' VAL . 5.8 tp -50.25 98.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 62.210000000000001 109.294 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.48 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 71.0 p -73.18 -167.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 54.100000000000001 110.426 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.64 -46.06 4.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.283 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.98 -7.73 19.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 72.049999999999997 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.53 -37.98 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 70.319999999999993 110.276 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.959 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.63 -35.89 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 110.977 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.569 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -65.09 -17.91 64.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 109.319 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -73.21 -22.98 60.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.25 110.265 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 3.5 mt-30 -118.37 18.87 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 110.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.959 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -62.57 -47.84 87.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 70.549999999999997 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.17 9.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 72.409999999999997 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.5 m-20 -90.83 -33.64 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.510000000000005 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 130' ' ' LEU . 16.3 t -70.22 -54.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 63.219999999999999 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.877 ' O ' HG23 ' A' ' 19' ' ' THR . 19.6 ptt180 -64.58 -34.74 78.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -52.53 -44.0 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 44.420000000000002 110.015 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.938 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.2 pp -86.57 -31.91 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 62.329999999999998 109.259 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.826 ' N ' HD12 ' A' ' 17' ' ' LEU . 5.8 tp -56.37 -23.07 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.877 HG23 ' O ' ' A' ' 15' ' ' ARG . 68.8 p -57.08 -16.82 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 64.120000000000005 110.415 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -74.24 -30.47 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.9 t90 -55.64 128.13 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.540000000000006 108.032 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.97 -11.39 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 55.299999999999997 109.28 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -82.43 -16.06 50.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 63.109999999999999 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 51.8 t -78.63 123.46 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 62.310000000000002 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.02 -25.92 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 62.240000000000002 110.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -125.51 132.94 52.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.25 110.334 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mm -126.2 109.06 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.310000000000002 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.2 tt0 -143.57 146.17 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 64.340000000000003 110.247 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.571 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.0 p-10 -108.07 157.08 18.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 64.019999999999996 109.263 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 33' ' ' GLY . 1.3 m -131.66 175.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 51.030000000000001 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.45 92.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 110.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 74.03 49.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 75.230000000000004 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 174.55 -174.62 46.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 53.539999999999999 111.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.26 144.71 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 54.43 109.319 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -129.38 111.8 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 74.519999999999996 110.274 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.747 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.01 168.99 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.78 95.12 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.428 HG11 ' CH2' ' A' ' 21' ' ' TRP . 5.5 t -82.29 123.93 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 73.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -85.42 79.67 9.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 65.140000000000001 110.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.927 HD13 HD12 ' A' ' 90' ' ' ILE . 16.1 mt -55.62 -37.1 67.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 72.120000000000005 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 18.2 ttmt -145.32 157.84 43.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 73.540000000000006 109.276 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.14 -15.65 15.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.099999999999994 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -130.01 20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 52.520000000000003 109.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 66' ' ' TRP . 34.6 m -133.72 151.84 51.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 110.396 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.958 HD11 ' HG3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -135.24 139.32 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 62.509999999999998 109.261 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.692 ' HG ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -125.93 107.39 10.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 51.340000000000003 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.958 ' HG3' HD11 ' A' ' 45' ' ' LEU . 23.9 mt-10 -85.89 107.12 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.340000000000003 110.272 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.3 tt -96.19 140.8 30.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.040000000000006 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -134.96 126.57 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.643 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 6.9 tt -105.93 127.07 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.349999999999994 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -138.89 172.53 12.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 63.439999999999998 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CG ' HD22 ' A' ' 4' ' ' LEU . 61.5 t80 -102.32 150.08 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 110.973 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.13 111.19 20.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 64.040000000000006 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -81.04 3.74 22.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 71.120000000000005 109.606 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -85.95 -40.36 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 64.219999999999999 109.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.04 -7.67 9.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 64.519999999999996 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 64.7 51.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.579 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.33 165.3 18.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 109.337 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.3 32.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 61.039999999999999 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 13.1 t -124.38 171.4 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 73.109999999999999 110.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.566 HD11 ' CZ2' ' A' ' 133' ' ' TRP . 13.6 mt -138.54 137.54 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.409999999999997 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 25.8 ttpt -155.58 123.4 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 6.7 p90 -136.45 166.73 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 73.010000000000005 110.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.635 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 5.0 mtp180 -132.51 124.85 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 73.329999999999998 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.97 HD11 HD23 ' A' ' 87' ' ' LEU . 64.7 mt -72.85 138.66 46.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 71.219999999999999 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.635 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 89.4 m95 -127.93 171.21 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 55.25 108.03 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.594 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -142.54 97.47 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 40.030000000000001 109.998 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 122.68 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 73.239999999999995 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.4 113.34 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 75.349999999999994 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 29.79 5.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 60.43 110.378 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.44 -42.08 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 110.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.9 mt-10 -105.31 -14.95 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 63.219999999999999 110.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.4 t70 81.74 48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 74.030000000000001 109.278 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.814 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.96 -2.12 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 73.040000000000006 109.289 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t 73.56 43.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 35.219999999999999 110.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.814 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -78.14 176.75 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 63.219999999999999 109.991 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.8 pp -169.39 164.86 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 64.209999999999994 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' SER . 45.8 ttp85 -155.28 158.41 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.310000000000002 110.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 64' ' ' ARG . 8.7 tp -73.13 130.55 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 62.439999999999998 109.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 67' ' ' SER . 21.4 mt -95.19 162.64 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 72.219999999999999 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -155.18 104.84 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 71.140000000000001 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -134.43 167.07 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.349999999999994 109.278 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -71.07 -168.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -76.71 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 64.239999999999995 109.266 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 t -51.16 -32.74 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 63.329999999999998 110.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' HB3' HD12 ' A' ' 82' ' ' LEU . 6.5 mt-10 -82.54 -29.61 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 110.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.019 HD11 HD12 ' A' ' 91' ' ' LEU . 2.3 tm? -83.24 -15.16 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 61.020000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -81.09 -19.13 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 110.271 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -65.4 -22.19 66.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 109.995 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.927 HD12 HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -112.5 -34.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 63.020000000000003 109.272 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.019 HD12 HD11 ' A' ' 87' ' ' LEU . 19.1 mt -95.27 -179.67 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 52.520000000000003 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.9 m-80 -144.69 101.32 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 53.350000000000001 109.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.97 -58.38 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.510000000000005 109.334 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.62 -81.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -118.75 -8.25 10.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 110.396 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.0 -171.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 62.100000000000001 110.947 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -149.23 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.310000000000002 109.986 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.709 HG23 ' HA ' ' A' ' 113' ' ' ILE . 10.4 p -153.73 160.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 41.109999999999999 109.293 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -136.89 132.24 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 64.310000000000002 110.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.814 HD12 ' CE1' ' A' ' 111' ' ' TYR . 6.4 tt -92.2 136.54 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.716 ' N ' HD23 ' A' ' 100' ' ' LEU . 23.0 t -129.32 132.66 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 34.039999999999999 109.985 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.911 HG23 ' HB ' ' A' ' 109' ' ' VAL . 24.0 m -129.77 154.08 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 73.349999999999994 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.04 155.79 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 65.129999999999995 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 51.6 tpp -60.94 -24.45 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.420000000000002 111.02 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -75.47 -13.14 60.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 64.019999999999996 110.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.1 mtt 52.9 22.46 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 110.994 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -37.21 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 61.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 m -124.35 132.57 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 72.319999999999993 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.911 ' HB ' HG23 ' A' ' 102' ' ' THR . 2.9 p -134.74 163.1 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.140000000000001 109.276 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.463 ' N ' HG22 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -160.59 175.78 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.510000000000005 110.985 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CE1' HD12 ' A' ' 100' ' ' LEU . 34.0 m-85 -121.92 157.76 30.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.010000000000005 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 34.2 m-85 -136.67 103.3 5.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 111.057 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.709 ' HA ' HG23 ' A' ' 98' ' ' VAL . 4.9 mt -66.63 132.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 71.439999999999998 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -51.06 110.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.261 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -141.67 28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 63.140000000000001 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.68 -41.86 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 45.43 108.298 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.896 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 61.4 m-20 -115.16 84.67 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 75.299999999999997 109.338 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.859 HG22 ' OH ' ' A' ' 129' ' ' TYR . 21.1 m -78.88 -57.14 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 110.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 0' ' ' SER . 13.7 t70 -59.39 -26.12 64.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.25 109.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.896 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.79 -15.36 37.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 21.100000000000001 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 20.3 m-20 -94.53 -69.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.430000000000007 109.253 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.778 ' HB ' HD13 ' A' ' 136' ' ' LEU . 8.0 p -82.56 -54.36 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 85.26 -19.9 20.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 42.43 111.001 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.588 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 12.4 t -38.09 142.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.8 . . . . 74.239999999999995 109.98 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.79 -178.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 2' ' ' LEU . 16.5 t -84.33 -8.54 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.319999999999993 109.318 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.41 -67.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.319999999999993 110.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.08 47.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.628 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.859 ' OH ' HG22 ' A' ' 118' ' ' THR . 2.1 t80 -77.04 -47.9 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.209999999999994 111.018 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.3 mm? -67.92 -21.39 65.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.150000000000006 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 134' ' ' ILE . 7.4 p -89.72 -36.6 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 110.391 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.72 -16.51 36.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.450000000000003 110.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.566 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 80.4 t90 -86.4 -39.3 16.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 108.033 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.769 HD13 ' CG1' ' A' ' 14' ' ' VAL . 9.6 tp -61.99 -47.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 35.109999999999999 109.29 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.474 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 46.5 t -72.82 -3.68 27.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.982 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.778 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.53 -44.22 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 72.140000000000001 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -85.99 -48.62 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 61.329999999999998 111.021 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.773 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.2 tp -51.26 -30.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 71.230000000000004 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 135' ' ' SER . 9.3 mtp180 -59.01 -34.51 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 71.519999999999996 110.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASN . 74.4 mt -64.59 -10.82 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 109.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.667 ' CE2' HD12 ' A' ' 48' ' ' LEU . 5.7 m-85 -116.9 -27.47 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 71.310000000000002 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -147.98 100.65 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 55.420000000000002 109.269 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 92' ' ' ASN . 6.1 mt -84.8 2.66 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 60.219999999999999 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -102.2 -25.84 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 34.409999999999997 109.266 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 4.2 t80 -99.52 104.88 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 71.239999999999995 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 96.63 36.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 62.43 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.938 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 53.310000000000002 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.021 -0.363 . . . . 62.43 110.021 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.91 22.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 72.319999999999993 111.005 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.1 136.72 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 62.240000000000002 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.496 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 49.5 p -81.38 -174.02 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 62.119999999999997 110.401 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -77.58 -44.71 2.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 60.43 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -11.79 21.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 75.310000000000002 111.013 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 4.9 mm-40 -88.27 -33.64 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.540000000000006 110.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.999 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.97 -19.71 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.993 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -76.11 -15.15 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.31 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -71.36 -25.46 62.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 61.329999999999998 110.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -111.92 15.34 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 54.439999999999998 110.296 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.657 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -62.91 -46.86 87.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 61.009999999999998 109.283 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.97 0.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 54.439999999999998 111.001 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.8 m-20 -91.68 -34.72 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 130' ' ' LEU . 4.0 t -71.67 -47.13 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 72.010000000000005 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.824 ' O ' HG23 ' A' ' 19' ' ' THR . 31.0 ptt180 -68.8 -18.63 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.340000000000003 110.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' OG1' ' A' ' 19' ' ' THR . 13.3 t -75.55 -37.52 59.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 147' ' ' PRO . 4.6 pp -88.62 -29.34 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 72.329999999999998 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 17' ' ' LEU . 8.8 mt -71.27 -28.18 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -61.97 -12.46 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 73.540000000000006 110.37 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.65 -20.97 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.439999999999998 109.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.503 ' CE3' HG23 ' A' ' 24' ' ' VAL . 1.4 t90 -48.71 130.55 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 108.046 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 -1.53 57.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 43.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -101.58 -26.29 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 72.140000000000001 109.306 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.503 HG23 ' CE3' ' A' ' 21' ' ' TRP . 15.9 t -62.25 134.09 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 54.240000000000002 109.276 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 22.2 tt0 -111.71 -31.87 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 63.299999999999997 110.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -125.91 143.5 51.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 61.420000000000002 110.283 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 27' ' ' ILE . 7.8 mm -129.49 103.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 61.409999999999997 109.272 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -128.39 136.36 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 64.340000000000003 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' HA ' HD23 ' A' ' 34' ' ' LEU . 11.7 p-10 -109.45 139.42 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 34' ' ' LEU . 26.5 m -109.98 169.69 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 63.219999999999999 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 6.8 tt0 -90.95 21.41 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 74.219999999999999 110.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -153.93 26.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 63.310000000000002 109.305 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 30' ' ' VAL . . . 145.57 -121.33 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 53.020000000000003 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.537 ' N ' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -164.55 148.17 9.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 64.25 109.338 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -132.86 110.88 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 74.299999999999997 110.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.46 168.81 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 71.430000000000007 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 4.4 m-20 -127.99 95.45 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.010000000000005 109.257 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' HD22 ' A' ' 45' ' ' LEU . 2.2 t -88.06 148.55 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 73.200000000000003 109.332 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 17.3 tpp180 -106.1 78.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.046 ' CD1' HD12 ' A' ' 90' ' ' ILE . 11.8 mt -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 62.399999999999999 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.8 ttmt -144.97 157.37 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 54.520000000000003 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -58.9 -19.81 45.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.530000000000001 110.382 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.74 21.8 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 60.109999999999999 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 66' ' ' TRP . 13.6 m -139.01 141.66 38.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 55.350000000000001 110.376 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.598 ' C ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm? -124.23 129.38 50.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 73.099999999999994 109.278 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.848 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.5 tm? -108.92 98.4 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.130000000000003 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.9 tt0 -80.38 105.43 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 110.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 141' ' ' PHE . 1.8 tt -96.19 129.82 43.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -133.21 126.77 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 64.049999999999997 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 12.2 tt -103.86 140.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 73.299999999999997 109.349 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 39.4 p90 -153.82 139.49 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 111.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CB ' HD23 ' A' ' 4' ' ' LEU . 80.0 t80 -68.16 136.28 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 74.219999999999999 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.646 ' CG ' HG22 ' A' ' 55' ' ' VAL . 9.1 t0 -100.62 109.54 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 74.219999999999999 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -79.78 1.46 26.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 72.319999999999993 109.631 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.671 HG23 ' CD2' ' A' ' 56' ' ' TYR . 2.2 m -85.36 -35.31 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 109.263 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.671 ' CD2' HG23 ' A' ' 55' ' ' VAL . 42.1 m-85 -122.42 -3.59 8.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 111.012 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.29 23.75 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 70.140000000000001 109.613 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' HB ' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -127.93 161.89 53.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 44.32 109.345 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 149.16 36.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 64.540000000000006 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -123.49 174.73 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.006 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.855 HD12 ' CD1' ' A' ' 137' ' ' TYR . 20.3 mt -138.98 129.42 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 109.26 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -142.74 133.11 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 64.049999999999997 109.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 91' ' ' LEU . 31.5 p90 -144.35 157.33 44.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.420000000000002 111.027 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.8 mtm180 -127.88 122.54 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.109999999999999 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 79' ' ' LEU . 35.1 mt -66.83 147.44 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 64.310000000000002 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.67 ' O ' HG23 ' A' ' 44' ' ' THR . 86.8 m95 -140.57 154.36 46.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 73.349999999999994 107.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.52 ' HB2' HD21 ' A' ' 80' ' ' LEU . 6.2 t -126.15 97.35 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 110.063 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -66.42 120.52 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 62.140000000000001 109.279 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.26 112.51 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.030000000000001 109.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 32.97 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 73.349999999999994 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -42.7 -43.24 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.540000000000006 110.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.6 mt-10 -104.97 -13.77 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.439999999999998 110.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t0 81.85 50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.38 -8.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.540000000000006 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 80.09 42.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 109.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.81 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -75.37 -177.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 64.329999999999998 110.015 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.8 pp -174.49 163.46 3.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 74.340000000000003 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 130.97 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 65' ' ' LEU . 11.5 tp -56.69 134.36 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 67' ' ' SER . 72.8 mt -99.89 140.93 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 63.109999999999999 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.0 m -136.36 87.68 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 51.350000000000001 110.415 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -120.87 167.19 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.549999999999997 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 m -57.7 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 60.509999999999998 109.98 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -81.37 -27.84 34.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 109.304 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -64.26 -42.32 96.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 72.109999999999999 110.02 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . 3.7 mm-40 -72.92 -46.83 50.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 62.350000000000001 110.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.907 HD21 HD12 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -57.4 -44.05 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 71.319999999999993 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.509 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -54.95 -18.53 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 71.120000000000005 110.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 8.9 t -57.08 -20.21 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 40.240000000000002 110.026 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.046 HD12 ' CD1' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -118.64 -40.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 71.129999999999995 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.907 HD12 HD21 ' A' ' 87' ' ' LEU . 10.9 mt -86.49 178.37 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 109.307 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.792 ' O ' HG23 ' A' ' 140' ' ' ILE . 70.2 m-80 -140.1 105.1 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 65.239999999999995 109.254 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.98 -57.96 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 52.130000000000003 109.334 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.5 -81.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 23.140000000000001 110.972 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.8 t -118.23 12.14 13.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 0.771 . . . . 72.129999999999995 110.429 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -103.85 -177.03 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 70.030000000000001 111.047 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.501 ' HB3' ' ND2' ' A' ' 114' ' ' ASN . 33.4 t -145.81 166.66 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 63.100000000000001 110.019 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 99' ' ' THR . 6.7 p -140.7 166.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 63.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' VAL . 5.5 m -135.06 107.18 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 73.049999999999997 110.38 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.974 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -97.42 123.72 41.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.010000000000005 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.449 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.8 t -119.62 135.42 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 73.319999999999993 110.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.781 HG23 HG22 ' A' ' 109' ' ' VAL . 17.2 m -125.51 151.17 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 110.418 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -88.74 164.94 15.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 109.328 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.4 mtt -63.52 -11.75 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 61.140000000000001 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -91.14 -10.89 40.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 110.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtt 50.78 25.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.049999999999997 110.98 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.42 -31.59 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 72.409999999999997 109.295 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 128.61 56.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 75.25 110.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.781 HG22 HG23 ' A' ' 102' ' ' THR . 18.0 t -146.46 153.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 70.010000000000005 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -146.75 168.06 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 75.439999999999998 110.994 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.974 ' CE1' HD12 ' A' ' 100' ' ' LEU . 39.0 m-85 -123.24 78.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 70.319999999999993 110.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.555 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 87.8 m-85 -69.76 100.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 75.519999999999996 110.989 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -54.11 143.36 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 73.019999999999996 109.305 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.501 ' ND2' ' HB3' ' A' ' 97' ' ' SER . 2.9 m-20 -62.7 105.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 62.140000000000001 109.306 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 14.7 t30 -126.55 65.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 74.310000000000002 109.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 12.6 t -103.29 -55.54 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 62.009999999999998 108.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.8 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 20.8 p-10 -90.55 61.23 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.32 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.497 HG21 ' HB ' ' A' ' 58' ' ' VAL . 2.5 m -67.13 -49.56 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 55.039999999999999 110.425 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -67.45 -30.72 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.8 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.6 -10.76 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 32.539999999999999 109.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' ASP . 0.9 OUTLIER -84.44 -69.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 109.274 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.927 ' HB ' HD13 ' A' ' 136' ' ' LEU . 3.1 p -99.07 -50.33 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 42.530000000000001 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 35.95 61.6 0.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -76.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 62.43 109.972 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.06 140.35 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 71.030000000000001 109.289 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.423 HG13 HD12 ' A' ' 2' ' ' LEU . 48.7 t -62.91 -21.35 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 73.25 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -48.15 -67.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 110.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -127.6 47.0 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.230000000000004 109.584 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.533 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 5.8 t80 -65.44 -27.6 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.310000000000002 111.033 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.999 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -61.71 -30.48 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 74.299999999999997 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.3 p -83.67 -46.25 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 63.109999999999999 110.427 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.77 ' O ' HG21 ' A' ' 122' ' ' VAL . 2.7 tpt180 -71.99 -17.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 72.3 t90 -86.79 -58.97 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 75.209999999999994 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.636 HG12 HG13 ' A' ' 14' ' ' VAL . 9.2 tp -55.53 -53.98 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 73.329999999999998 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.509 ' N ' HG23 ' A' ' 134' ' ' ILE . 41.6 t -54.06 -18.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 74.239999999999995 109.991 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.927 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.2 OUTLIER -90.75 -33.77 15.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 70.310000000000002 109.301 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.855 ' CD1' HD12 ' A' ' 61' ' ' ILE . 14.6 m-85 -94.26 -2.54 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 110.975 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 145' ' ' PHE . 2.9 tp -83.27 -27.0 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 71.109999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -69.27 -5.75 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 45.109999999999999 110.31 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 92' ' ' ASN . 6.0 mt -92.92 -10.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 63.240000000000002 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.509 ' CE1' HD12 ' A' ' 48' ' ' LEU . 94.9 m-85 -115.96 -39.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 71.510000000000005 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.465 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -147.89 113.75 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 75.209999999999994 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.7 mt -85.94 3.38 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.268 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.24 -15.74 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 138' ' ' ILE . 42.1 t80 -76.73 112.25 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 72.120000000000005 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.85 102.71 46.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 72.120000000000005 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.852 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 71.209999999999994 111.044 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 119' ' ' ASP . 3.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.965 -0.383 . . . . 61.340000000000003 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptp -81.25 -16.43 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 73.310000000000002 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.804 HD13 HG13 ' A' ' 126' ' ' VAL . 21.2 tp -50.63 100.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.340000000000003 109.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.6 p -64.88 -172.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 110.406 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.51 -45.57 3.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 75.129999999999995 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.92 -11.05 21.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 72.319999999999993 111.048 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HB3' HD12 ' A' ' 2' ' ' LEU . 30.8 mm-40 -88.78 -32.92 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.109999999999999 110.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.925 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.28 -20.32 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 75.319999999999993 111.007 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 12.4 m-20 -79.75 -15.25 57.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 109.256 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 71.109999999999999 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -114.5 15.84 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.439999999999998 110.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.93 -47.46 98.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.219999999999999 109.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 63.240000000000002 111.001 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.2 m-20 -93.54 -35.65 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 62.530000000000001 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.752 HG13 HG12 ' A' ' 134' ' ' ILE . 39.2 t -65.4 -50.77 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 60.43 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 19' ' ' THR . 8.2 ptm180 -65.25 -29.65 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 72.329999999999998 110.322 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -59.4 -41.99 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.984 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -85.84 -32.44 21.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 53.119999999999997 109.335 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.917 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.4 tp -55.99 -23.51 33.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.409999999999997 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.875 HG23 ' O ' ' A' ' 15' ' ' ARG . 81.7 p -57.85 -29.17 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 54.530000000000001 110.417 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 57.1 mmtt -58.49 -21.13 50.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.993 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -71.09 110.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 73.340000000000003 107.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.33 -13.25 58.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 71.010000000000005 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.52 -26.25 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 72.200000000000003 109.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' ' 21' ' ' TRP . 41.4 t -61.5 138.68 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.259 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' CD ' ' NH2' ' A' ' 39' ' ' ARG . 13.0 tt0 -115.92 -34.75 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 110.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -124.99 155.68 39.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 110.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.59 HD13 HD23 ' A' ' 36' ' ' LEU . 2.2 mm -138.49 106.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 63.240000000000002 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.72 151.45 51.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 110.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.92 151.15 30.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.099999999999994 109.333 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.469 HG22 ' CA ' ' A' ' 34' ' ' LEU . 6.3 m -128.48 157.43 40.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 72.409999999999997 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 8.7 tt0 -59.09 92.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.120000000000005 110.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER 81.98 58.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 75.010000000000005 109.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.37 -160.91 30.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 111.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CA ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -158.98 154.77 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 72.310000000000002 109.272 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.459 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -139.31 114.36 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.340000000000003 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.82 HD21 HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -122.93 169.05 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 71.329999999999998 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.5 95.57 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 51.149999999999999 109.277 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.993 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 59.6 t -86.66 112.37 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 72.219999999999999 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' CD ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -82.4 94.51 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 63.240000000000002 110.297 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 46' ' ' LEU . 9.0 mp -76.98 -40.97 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.219999999999999 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -136.79 156.81 48.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 m -59.7 -15.73 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.349999999999994 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -131.38 22.0 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.341 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 10.5 m -139.74 138.11 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 61.340000000000003 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.986 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -131.03 133.92 46.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.986 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.6 tm? -114.46 85.98 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.338 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.2 tp10 -67.3 107.53 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 71.209999999999994 110.274 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 HG23 ' A' ' 61' ' ' ILE . 2.1 tm? -90.64 128.68 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 55.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.552 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 1.6 m170 -129.46 116.71 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 64.099999999999994 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -94.49 131.52 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.420000000000002 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.451 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 7.3 p90 -147.87 141.03 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.685 ' CD1' HD23 ' A' ' 4' ' ' LEU . 29.7 t80 -86.4 141.25 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 74.430000000000007 111.044 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.744 ' OD1' HG23 ' A' ' 55' ' ' VAL . 54.9 t0 -114.47 127.78 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.329999999999998 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -83.47 3.81 30.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 64.420000000000002 109.62 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.744 HG23 ' OD1' ' A' ' 53' ' ' ASP . 55.2 t -70.24 -45.16 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.239999999999995 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD2' HG12 ' A' ' 55' ' ' VAL . 61.0 m-85 -119.55 -0.23 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 111.009 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.407 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.6 m-70 64.94 48.5 2.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 109.554 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.565 HG11 ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.33 165.2 18.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 61.409999999999997 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 7' ' ' TYR . 18.6 Cg_endo -74.95 155.1 43.13 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 74.019999999999996 111.041 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.451 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 29.7 t -136.65 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 51.539999999999999 110.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD2' ' A' ' 137' ' ' TYR . 1.4 mp -130.36 148.09 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 16.9 ttpt -155.17 119.04 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 61.539999999999999 109.338 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.676 ' CD1' HD21 ' A' ' 46' ' ' LEU . 52.1 p90 -136.45 171.11 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.129999999999995 111.025 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.834 ' HB3' HD11 ' A' ' 79' ' ' LEU . 18.3 mtm180 -143.0 128.05 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.022 HD11 HD23 ' A' ' 87' ' ' LEU . 64.3 mt -65.96 137.98 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.671 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 91.4 m95 -133.52 150.85 51.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.973 -1.121 . . . . 70.549999999999997 107.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.49 ' HB3' HD11 ' A' ' 80' ' ' LEU . 60.4 p -125.23 97.6 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 109.992 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -68.06 122.5 18.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 64.299999999999997 109.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -117.67 113.75 22.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 109.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.19 34.01 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 70.310000000000002 110.387 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -55.64 -36.19 66.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 64.219999999999999 110.256 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.657 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.56 -1.98 20.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 75.219999999999999 110.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.33 47.85 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 44.530000000000001 109.346 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.734 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.08 -8.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 51.149999999999999 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.8 t 79.17 50.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.150000000000006 110.033 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.633 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.93 -176.17 5.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.430000000000007 110.009 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.9 pp -172.75 167.15 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 75.519999999999996 109.275 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -155.18 133.36 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 71.450000000000003 110.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 65' ' ' LEU . 21.3 tp -60.99 132.8 55.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 72.099999999999994 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 67' ' ' SER . 64.1 mt -98.71 162.67 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 64.340000000000003 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.4 p -153.04 110.97 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 75.349999999999994 110.412 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -138.57 167.0 22.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 55.439999999999998 109.291 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -71.04 -171.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 72.219999999999999 110.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' ARG . 36.1 m-20 -71.46 -55.52 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 52.210000000000001 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -50.62 -35.02 28.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 55.43 109.985 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.31 -32.47 26.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 110.273 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.022 HD23 HD11 ' A' ' 65' ' ' LEU . 1.3 tm? -77.91 -13.0 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 71.010000000000005 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -90.05 -19.57 24.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 71.140000000000001 110.323 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -53.34 -20.48 4.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 63.240000000000002 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.02 -43.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 71.209999999999994 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 87' ' ' LEU . 4.5 mt -80.99 160.52 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 62.240000000000002 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 140' ' ' ILE . 64.8 m-80 -122.79 100.71 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 61.039999999999999 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -87.36 -57.92 2.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 71.299999999999997 109.272 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.89 -82.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 70.310000000000002 111.058 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.5 t -112.72 -22.41 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 71.120000000000005 110.458 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.667 ' HZ ' HD13 ' A' ' 136' ' ' LEU . 9.8 m-85 -73.99 166.3 23.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 71.25 110.986 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -127.63 177.55 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 99' ' ' THR . 2.9 t -149.32 163.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.450000000000003 109.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.509 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 2.5 m -147.62 108.85 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 51.009999999999998 110.405 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.894 HD11 HG12 ' A' ' 109' ' ' VAL . 14.4 tp -95.13 121.16 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -115.73 158.54 22.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 109.994 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 106' ' ' MET . 7.0 m -127.76 135.84 50.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 73.329999999999998 110.368 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.85 166.24 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 65.200000000000003 109.324 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 34.9 ttm -58.87 -27.55 65.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.450000000000003 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.38 -17.14 58.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 70.540000000000006 110.346 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.558 ' HA ' HG22 ' A' ' 102' ' ' THR . 2.9 mtp 49.3 26.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 62.219999999999999 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.49 -13.65 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.310000000000002 109.269 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -133.96 146.65 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 53.32 109.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.894 HG12 HD11 ' A' ' 100' ' ' LEU . 2.3 t -137.63 140.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 62.329999999999998 109.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.869 ' O ' HD12 ' A' ' 100' ' ' LEU . 2.6 m-85 -126.92 145.11 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 73.200000000000003 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.724 ' CD1' HD13 ' A' ' 100' ' ' LEU . 26.9 m-85 -105.84 80.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 81.5 m-85 -68.74 116.05 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 110.977 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 137' ' ' TYR . 5.3 mt -74.24 132.79 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.409999999999997 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.96 113.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.34 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 8.7 t30 -142.3 93.84 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.340000000000003 109.309 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.42 -55.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 63.539999999999999 108.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 7.1 m-20 -88.36 56.96 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 44.119999999999997 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.565 ' CG2' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -67.46 -32.87 74.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 63.039999999999999 110.389 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.418 ' HB2' ' CB ' ' A' ' 0' ' ' SER . 1.1 t70 -78.23 -34.43 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.040000000000006 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.74 -10.56 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.420000000000002 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' ASP . 1.6 m120 -83.67 -69.82 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 73.519999999999996 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 129' ' ' TYR . 9.8 p -95.38 -53.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.536 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 35.31 44.2 0.56 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 71.519999999999996 111.015 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 m -81.32 -78.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 73.129999999999995 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -162.85 139.31 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 70.109999999999999 109.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.804 HG13 HD13 ' A' ' 2' ' ' LEU . 11.9 t -62.63 -14.16 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 109.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.71 -67.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.200000000000003 110.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -118.09 47.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 72.510000000000005 109.602 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 3.8 t80 -75.07 -35.88 61.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 52.130000000000003 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.925 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -66.31 -26.8 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.518 ' HA ' HD21 ' A' ' 17' ' ' LEU . 70.1 p -83.44 -39.72 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 110.377 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.455 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -83.55 -16.16 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 71.25 110.335 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.573 ' CH2' ' CD1' ' A' ' 61' ' ' ILE . 38.0 t90 -86.15 -29.47 23.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 61.25 108.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.752 HG12 HG13 ' A' ' 14' ' ' VAL . 9.1 tp -87.39 -45.38 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 73.049999999999997 109.341 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.497 ' O ' HG22 ' A' ' 138' ' ' ILE . 48.3 t -60.73 -28.13 68.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 72.439999999999998 110.008 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.805 ' C ' HD12 ' A' ' 136' ' ' LEU . 0.6 OUTLIER -81.5 -27.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 63.530000000000001 109.314 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -94.77 -12.19 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 70.439999999999998 110.984 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.544 HG12 ' CE2' ' A' ' 145' ' ' PHE . 3.7 tp -81.35 -17.73 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 72.319999999999993 109.352 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -75.32 -10.73 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 64.219999999999999 110.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.76 HG23 ' O ' ' A' ' 92' ' ' ASN . 21.6 mt -89.49 -10.48 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 97.9 m-85 -118.28 -29.91 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.510000000000005 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.553 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.2 121.08 8.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.34 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.641 HD12 ' ND2' ' A' ' 92' ' ' ASN . 4.2 mt -98.87 2.74 46.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 72.109999999999999 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -106.63 -16.87 14.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 72.319999999999993 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -107.8 111.03 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 64.329999999999998 110.999 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.29 102.32 45.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 73.109999999999999 109.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.694 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 61.329999999999998 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.719 ' OG ' HG13 ' A' ' 58' ' ' VAL . 2.7 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.966 -0.383 . . . . 71.019999999999996 109.966 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt -120.9 -6.66 9.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 71.239999999999995 111.001 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 7' ' ' TYR . 1.5 tp -50.6 108.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.310000000000002 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.493 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.7 p -76.22 -166.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.209999999999994 110.385 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.0 -45.64 3.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 62.210000000000001 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -75.0 -8.45 20.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 74.340000000000003 110.99 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HB3' HD12 ' A' ' 2' ' ' LEU . 4.9 mm-40 -88.16 -37.85 15.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 52.509999999999998 110.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.949 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.94 -31.28 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 111.015 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.525 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -67.28 -15.55 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 62.43 109.277 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -76.15 -36.25 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 72.230000000000004 110.259 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.92 11.25 39.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 110.304 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.688 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -60.84 -46.45 96.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 73.409999999999997 109.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 35.119999999999997 110.969 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.0 m-20 -90.46 -34.49 15.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 61.030000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.613 HG13 HG12 ' A' ' 134' ' ' ILE . 54.7 t -69.52 -50.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.737 ' HD2' HD21 ' A' ' 34' ' ' LEU . 10.0 ptm180 -66.42 -18.83 65.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 110.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -75.59 -36.34 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 73.319999999999993 109.979 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.932 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -87.03 -32.29 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 71.010000000000005 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.932 ' N ' HD12 ' A' ' 17' ' ' LEU . 11.4 mt -59.33 -22.07 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 51.32 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 15' ' ' ARG . 59.9 p -51.56 -30.61 21.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 61.340000000000003 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.19 -33.79 76.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 43.43 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 1.135 ' CH2' HG21 ' A' ' 38' ' ' VAL . 4.3 t90 -52.19 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 107.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.14 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 73.230000000000004 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.607 ' HB2' HG13 ' A' ' 38' ' ' VAL . 2.0 mtpp -70.98 -20.65 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG23 ' CD2' ' A' ' 21' ' ' TRP . 10.5 t -75.46 125.41 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 72.549999999999997 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.23 -38.1 7.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.140000000000001 110.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -125.47 131.85 52.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 74.209999999999994 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.519 HD13 HD22 ' A' ' 36' ' ' LEU . 2.5 mm -114.72 103.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.140000000000001 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 29' ' ' ASP . 3.4 tm0? -121.12 155.38 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 110.298 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 8.9 t70 -116.01 156.08 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.491 HG22 ' C ' ' A' ' 33' ' ' GLY . 17.3 m -132.67 175.21 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 64.340000000000003 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 30.8 mt-30 -72.01 93.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 73.040000000000006 110.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 80.33 44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.450000000000003 109.335 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' C ' HG22 ' A' ' 30' ' ' VAL . . . 173.94 -171.18 44.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 62.039999999999999 111.036 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.737 HD21 ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -148.13 137.95 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 0.814 . . . . 74.420000000000002 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -112.79 112.66 24.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 110.29 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.718 ' CD1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -116.01 145.56 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 73.400000000000006 109.311 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.818 ' CG ' HD21 ' A' ' 45' ' ' LEU . 1.1 t0 -110.64 100.54 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.530000000000001 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.135 HG21 ' CH2' ' A' ' 21' ' ' TRP . 23.7 t -91.11 139.46 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 60.149999999999999 109.306 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.675 ' NH1' HD13 ' A' ' 68' ' ' LEU . 4.4 tpt180 -103.09 90.72 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.109999999999999 110.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 46' ' ' LEU . 10.7 mp -70.76 -41.01 72.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 63.100000000000001 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -138.63 155.25 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 61.140000000000001 109.313 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 39' ' ' ARG . 1.2 m -59.65 -17.21 31.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 54.109999999999999 110.43 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 19.86 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 53.240000000000002 109.269 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 m -136.22 150.41 48.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.040000000000006 110.433 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' A' ' 37' ' ' ASP . 1.6 tm? -144.02 131.26 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 72.519999999999996 109.275 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.695 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.0 tm? -118.04 103.94 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' PHE . 2.0 tt0 -79.29 109.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 74.400000000000006 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 61' ' ' ILE . 1.7 tm? -94.51 119.04 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 73.230000000000004 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 7.2 m170 -119.26 108.19 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 63.210000000000001 109.603 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.427 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -88.66 129.7 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 60.219999999999999 109.267 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 9.2 p90 -146.0 159.59 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' A' ' 4' ' ' LEU . 2.7 t80 -103.49 149.7 24.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 53.450000000000003 110.95 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.746 ' OD1' HG23 ' A' ' 55' ' ' VAL . 65.5 t0 -121.74 132.64 54.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.519999999999996 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.443 ' CD2' ' HE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -87.25 3.72 45.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 71.510000000000005 109.551 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.746 HG23 ' OD1' ' A' ' 53' ' ' ASP . 55.4 t -71.57 -47.88 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 74.239999999999995 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CD2' HG12 ' A' ' 55' ' ' VAL . 51.0 m-85 -117.22 1.02 12.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 75.329999999999998 111.023 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 62.44 51.57 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 72.349999999999994 109.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.719 HG13 ' OG ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -152.64 167.58 13.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 64.150000000000006 109.342 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.03 170.26 20.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 75.340000000000003 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.528 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 16.6 t -148.5 171.33 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.975 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.715 HG23 HD21 ' A' ' 48' ' ' LEU . 33.2 mt -132.47 136.23 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 71.129999999999995 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 112' ' ' TYR . 21.8 tttt -149.03 131.51 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 65.010000000000005 109.247 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.851 ' CE2' HD11 ' A' ' 113' ' ' ILE . 9.9 p90 -152.56 159.5 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 111.021 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 1.012 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -130.98 117.64 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 72.129999999999995 110.335 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.109 HD11 HD13 ' A' ' 87' ' ' LEU . 12.4 mt -58.21 145.28 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 65.319999999999993 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.727 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 95.6 m95 -131.83 151.0 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 75.430000000000007 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.757 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -124.82 97.76 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 44.109999999999999 109.99 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.675 HD13 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -67.19 126.24 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -119.21 112.38 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.61 36.52 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.109999999999999 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -38.02 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.636 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.0 mt-10 -108.09 -2.58 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 65.43 49.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.279 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.77 -8.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 65.010000000000005 109.297 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.1 t 79.83 45.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.400000000000006 109.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.752 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -83.13 177.01 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 71.129999999999995 109.959 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.49 165.95 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 43.140000000000001 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' LEU . 1.1 tpp85 -155.41 140.63 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.25 110.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.012 HD11 ' HB3' ' A' ' 64' ' ' ARG . 13.6 tp -57.34 129.99 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 70.420000000000002 109.289 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 67' ' ' SER . 34.1 mt -93.17 162.5 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 64.409999999999997 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 80' ' ' LEU . 6.6 p -154.76 109.32 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 110.391 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -139.54 166.92 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 50.229999999999997 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 m -62.35 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 61.240000000000002 109.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -47.0 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 60.399999999999999 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.89 -34.61 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 33.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' A' ' 82' ' ' LEU . 12.8 mt-10 -74.45 -33.13 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 63.210000000000001 110.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.109 HD13 HD11 ' A' ' 65' ' ' LEU . 3.9 tp -76.99 -30.61 56.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 75.510000000000005 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -17.52 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 74.109999999999999 110.298 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 -21.06 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.451 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -122.29 -43.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 64.329999999999998 109.253 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.33 160.39 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 74.140000000000001 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 140' ' ' ILE . 24.2 m120 -118.36 88.67 2.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 61.32 109.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.623 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -82.4 -56.97 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 63.149999999999999 109.297 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.07 -94.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 111.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -93.83 -24.51 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 65.140000000000001 110.415 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.47 -174.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.349999999999994 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 m -157.6 154.04 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 43.509999999999998 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.66 154.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 75.120000000000005 109.323 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -135.23 109.78 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.219999999999999 110.382 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.079 HD11 HG12 ' A' ' 109' ' ' VAL . 31.5 tp -70.42 136.53 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 75.200000000000003 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 110' ' ' TYR . 2.0 t -147.04 158.02 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 74.219999999999999 109.999 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.901 ' CG2' HG13 ' A' ' 109' ' ' VAL . 3.1 p -124.04 167.3 14.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 72.129999999999995 110.432 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.53 170.75 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 72.319999999999993 109.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.425 ' CG ' ' N ' ' A' ' 105' ' ' GLU . 25.0 ptt? -48.85 -43.31 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 62.219999999999999 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -63.07 -28.62 70.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 70.010000000000005 110.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.6 ttm 62.09 18.28 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.430000000000007 110.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 -14.01 17.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.200000000000003 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -127.78 115.61 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 61.329999999999998 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.079 HG12 HD11 ' A' ' 100' ' ' LEU . 2.4 t -104.46 138.89 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.5 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.729 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.57 158.86 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 111.007 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.753 ' CD1' HD13 ' A' ' 100' ' ' LEU . 72.4 m-85 -109.56 118.53 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 74.510000000000005 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 62' ' ' LYS . 21.0 m-85 -97.56 117.94 32.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 73.530000000000001 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.851 HD11 ' CE2' ' A' ' 63' ' ' PHE . 34.8 mm -61.92 144.35 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 70.400000000000006 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.28 89.29 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 73.409999999999997 109.31 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 1.5 p30 -113.31 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.340000000000003 109.23 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.0 p -117.35 -42.57 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.450000000000003 108.318 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ASN . 54.4 m-20 -92.85 25.53 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 109.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -54.72 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 63.119999999999997 110.404 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.502 ' CG ' ' H1 ' ' A' ' 0' ' ' SER . 32.7 t70 -62.06 -25.69 67.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 109.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.39 -12.2 46.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 109.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 117' ' ' ASP . 31.0 m120 -90.21 -69.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 72.150000000000006 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.889 ' CG2' HD22 ' A' ' 136' ' ' LEU . 13.5 t -82.97 -64.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 55.310000000000002 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.39 26.53 7.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 71.420000000000002 111.009 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 t -64.78 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 54.25 109.994 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -166.11 133.56 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 65.239999999999995 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.614 HG23 ' CD1' ' A' ' 2' ' ' LEU . 1.3 p -54.5 -20.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 62.329999999999998 109.312 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -45.5 -67.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 70.219999999999999 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.71 46.9 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.239999999999995 109.642 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 11.7 t80 -74.99 -32.7 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 71.099999999999994 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.758 ' O ' HG22 ' A' ' 134' ' ' ILE . 3.5 mm? -54.6 -28.25 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 72.450000000000003 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.443 ' HA ' HG22 ' A' ' 134' ' ' ILE . 45.7 p -88.56 -51.97 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 62.130000000000003 110.394 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 12.6 tpt180 -64.34 -15.21 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.200000000000003 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.528 ' CD2' ' HG2' ' A' ' 59' ' ' PRO . 47.2 t90 -89.69 -62.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.984 -1.117 . . . . 72.239999999999995 107.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.758 HG22 ' O ' ' A' ' 130' ' ' LEU . 6.4 tp -50.59 -56.11 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 72.329999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.589 ' O ' HG22 ' A' ' 138' ' ' ILE . 28.7 t -54.59 -16.35 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 63.119999999999997 110.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.889 HD22 ' CG2' ' A' ' 122' ' ' VAL . 1.4 tp -77.15 -56.55 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 52.149999999999999 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.608 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 81.3 m-85 -76.21 -14.78 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 70.400000000000006 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 135' ' ' SER . 2.0 tp -60.5 -31.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -69.51 -6.48 30.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 70.239999999999995 110.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 92' ' ' ASN . 19.8 mt -92.89 -10.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.461 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 96.1 m-85 -115.54 -37.23 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 72.5 111.035 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.429 ' OD2' ' CB ' ' A' ' 145' ' ' PHE . 56.0 t0 -148.29 117.85 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 72.230000000000004 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.625 HD12 ' OD1' ' A' ' 92' ' ' ASN . 1.4 mt -92.09 2.67 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 60.140000000000001 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -103.79 -15.64 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 55.539999999999999 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.4 t80 -107.75 108.45 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 111.003 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.25 97.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.658 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 73.129999999999995 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.017 -0.364 . . . . 74.400000000000006 110.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt -129.98 3.93 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 71.540000000000006 111.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.753 HD13 HG13 ' A' ' 126' ' ' VAL . 12.1 tp -55.64 106.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 64.230000000000004 109.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 69.7 p -74.89 -168.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.406 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -76.0 -45.84 3.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 52.340000000000003 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -8.39 20.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 71.019999999999996 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.616 ' HB3' HD12 ' A' ' 2' ' ' LEU . 14.4 mm-40 -88.41 -37.13 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.219999999999999 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.773 ' HD1' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -87.42 -33.0 19.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 74.340000000000003 111.009 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE2' ' A' ' 7' ' ' TYR . 5.4 m-20 -71.21 -15.43 62.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 72.430000000000007 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.41 -23.61 61.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 110.349 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 20.6 mt-30 -112.57 18.02 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 70.129999999999995 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -59.96 -44.53 97.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 73.109999999999999 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 2.3 m-20 -94.05 -33.76 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 73.319999999999993 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.95 HG13 HG12 ' A' ' 134' ' ' ILE . 37.2 t -74.44 -53.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 61.229999999999997 109.305 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.714 ' O ' HG23 ' A' ' 19' ' ' THR . 7.7 ptm180 -64.1 -18.73 64.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 70.340000000000003 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -74.19 -40.96 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 72.109999999999999 109.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.956 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.4 pp -82.6 -33.19 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.956 ' N ' HD12 ' A' ' 17' ' ' LEU . 13.2 mt -54.7 -33.05 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 15' ' ' ARG . 63.1 p -48.14 -23.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 72.430000000000007 110.416 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 63.9 mmtt -70.36 -40.71 73.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 74.5 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.988 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 2.6 t90 -49.33 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 65.510000000000005 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . -65.11 -13.79 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 75.140000000000001 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 1.2 mtpp -77.82 -26.14 49.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 64.439999999999998 109.33 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 21' ' ' TRP . 25.1 t -66.93 124.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 64.010000000000005 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -109.14 -26.22 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 64.319999999999993 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -126.49 150.4 48.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 74.109999999999999 110.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 HD23 ' A' ' 36' ' ' LEU . 1.7 mm -137.51 114.36 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.298 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.958 ' O ' HD23 ' A' ' 34' ' ' LEU . 55.1 tt0 -142.23 150.92 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.530000000000001 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.29 154.14 28.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 63.350000000000001 109.26 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -134.24 162.59 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.3 tt0 -57.28 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 110.268 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER 76.35 57.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 71.439999999999998 109.297 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.36 -165.63 37.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 70.140000000000001 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -159.57 148.13 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 72.519999999999996 109.294 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.02 111.32 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.430000000000007 110.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.16 168.83 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' CG ' ' OE1' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -124.37 95.39 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 72.519999999999996 109.329 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.808 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 3.3 t -86.77 129.86 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.44 78.68 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 64.420000000000002 110.306 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.063 HD13 HD12 ' A' ' 90' ' ' ILE . 13.2 mt -56.31 -38.83 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 74.420000000000002 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -142.31 158.54 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 65.049999999999997 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -60.41 -14.56 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 65.310000000000002 110.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.15 21.92 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 109.318 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 66' ' ' TRP . 28.0 m -135.47 152.5 51.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 61.32 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.873 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -134.46 142.93 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.450000000000003 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.873 ' H ' HD22 ' A' ' 45' ' ' LEU . 1.1 tm? -123.02 104.71 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 1.2 tp10 -86.11 91.17 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 71.019999999999996 110.253 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 HG23 ' A' ' 61' ' ' ILE . 2.9 tm? -80.73 119.74 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 71.239999999999995 109.281 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.413 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 5.1 m170 -117.04 117.67 30.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 109.606 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 3.4 tt -97.11 126.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 72.400000000000006 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 18.1 p90 -145.36 154.77 42.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 70.129999999999995 110.958 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' CG ' HD22 ' A' ' 4' ' ' LEU . 52.9 t80 -95.35 158.14 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 64.439999999999998 110.97 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' OD1' HG23 ' A' ' 55' ' ' VAL . 37.2 t0 -137.23 112.36 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.030000000000001 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -71.63 -7.03 45.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 109.59 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 56' ' ' TYR . 54.0 t -58.79 -44.48 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 72.430000000000007 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.62 ' CD1' HG12 ' A' ' 55' ' ' VAL . 25.2 m-85 -121.63 -0.76 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 75.120000000000005 110.97 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.657 ' O ' HG13 ' A' ' 58' ' ' VAL . 29.3 m-70 62.86 60.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 75.0 109.621 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -163.71 164.41 15.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 109.326 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.93 161.26 39.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 71.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.592 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 3.5 p -141.42 170.87 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 71.540000000000006 110.003 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.863 HD12 ' CD2' ' A' ' 137' ' ' TYR . 12.8 mt -131.41 146.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 72.140000000000001 109.31 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 12.6 ttpt -155.54 117.15 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.631 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 39.7 p90 -136.28 163.11 31.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 64.239999999999995 110.944 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.858 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.5 mtm180 -138.1 122.14 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.898 ' O ' HD12 ' A' ' 79' ' ' LEU . 47.4 mt -61.41 138.11 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.349999999999994 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.9 m95 -131.04 155.51 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.97 -1.122 . . . . 63.420000000000002 107.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.812 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -127.64 97.83 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 52.140000000000001 109.993 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.76 124.48 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 72.109999999999999 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -121.72 112.84 18.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 64.450000000000003 109.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.55 30.01 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 63.520000000000003 110.43 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -42.54 -42.82 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.230000000000004 110.326 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.0 mt-10 -104.33 -14.65 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 110.31 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER 81.86 50.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 109.337 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.02 -0.3 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.400000000000006 109.319 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 t 69.17 45.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 60.530000000000001 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.799 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.99 175.74 9.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 72.200000000000003 110.004 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD12 ' C ' ' A' ' 77' ' ' LEU . 2.8 pp -167.48 161.62 13.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 52.299999999999997 109.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -155.33 133.08 11.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.120000000000005 110.285 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.898 HD12 ' O ' ' A' ' 65' ' ' LEU . 14.1 tp -52.3 138.59 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 75.409999999999997 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 67' ' ' SER . 64.2 mt -105.03 141.2 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 73.400000000000006 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -132.57 90.92 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 44.229999999999997 110.391 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -117.19 167.18 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.313 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -56.7 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 71.040000000000006 109.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.33 -38.88 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 65.340000000000003 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.27 -38.12 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.66 -38.29 80.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 73.010000000000005 110.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -68.79 -47.33 66.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.349999999999994 109.341 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.605 ' N ' HD23 ' A' ' 87' ' ' LEU . 1.5 tpt180 -49.27 -22.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 75.439999999999998 110.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.57 -34.81 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 64.409999999999997 110.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.063 HD12 HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -108.77 -42.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 50.25 109.306 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mt -76.66 -178.41 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 41.32 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.636 ' CG ' HD12 ' A' ' 143' ' ' LEU . 54.4 m-80 -154.1 102.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.626 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -88.99 -58.75 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 109.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 56.03 -84.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 64.019999999999996 111.053 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.3 t -115.1 19.39 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 73.230000000000004 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 140' ' ' ILE . 14.8 m-85 -113.52 -172.03 2.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.099999999999994 110.982 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -148.29 169.85 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.030000000000001 109.977 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 99' ' ' THR . 14.5 p -152.83 170.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 63.43 109.3 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.523 ' N ' HG22 ' A' ' 98' ' ' VAL . 3.3 m -141.04 117.85 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.200000000000003 110.408 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.003 HD12 ' O ' ' A' ' 110' ' ' TYR . 36.4 tp -110.73 122.49 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.539999999999999 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 t -132.9 161.76 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.409999999999997 109.955 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.039 HG22 HG22 ' A' ' 109' ' ' VAL . 2.1 p -128.83 166.87 18.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 53.240000000000002 110.374 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 171.28 9.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 61.109999999999999 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.3 ttp -58.51 -32.24 68.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 64.200000000000003 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -77.07 -10.92 59.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 75.129999999999995 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.8 mtm 53.04 27.13 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 72.219999999999999 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.03 -29.2 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 74.299999999999997 109.269 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -106.79 139.42 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.010000000000005 110.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 102' ' ' THR . 14.3 t -142.43 143.36 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 43.240000000000002 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 1.003 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.1 m-85 -136.31 154.49 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 65.299999999999997 110.97 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.783 ' CD1' HD13 ' A' ' 100' ' ' LEU . 12.9 m-85 -115.65 77.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 73.019999999999996 111.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 98.1 m-85 -67.57 110.28 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 64.140000000000001 111.018 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.8 mt -74.42 138.65 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -58.15 112.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.291 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -133.78 21.33 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 64.530000000000001 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.37 -46.3 49.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 108.311 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.968 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 9.4 m-20 -96.03 54.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 73.409999999999997 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.41 HG21 ' HD2' ' A' ' 59' ' ' PRO . 81.9 m -58.46 -50.18 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 110.418 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -62.5 -28.71 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.329999999999998 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.968 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -86.8 -15.38 39.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 117' ' ' ASP . 20.2 m-20 -83.57 -54.26 5.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 123' ' ' GLY . 9.2 p -121.77 -54.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 52.119999999999997 109.341 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 37.72 35.4 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 52.299999999999997 110.939 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 t -68.42 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 72.450000000000003 110.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.92 143.34 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 54.439999999999998 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.753 HG13 HD13 ' A' ' 2' ' ' LEU . 58.8 t -63.78 -13.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 12.2 mt-10 -65.45 -67.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.239999999999995 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 46.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.030000000000001 109.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -79.28 -38.27 35.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 75.030000000000001 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.79 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.3 mm? -71.77 -21.52 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 p -87.0 -45.18 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 51.439999999999998 110.414 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.5 tpt180 -73.7 -50.99 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.019999999999996 110.256 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.663 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 77.5 t90 -47.49 -57.39 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 72.230000000000004 107.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.95 HG12 HG13 ' A' ' 14' ' ' VAL . 7.6 tp -60.7 -53.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.219999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 134' ' ' ILE . 35.7 t -54.94 -15.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -90.93 -74.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 70.129999999999995 109.259 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.863 ' CD2' HD12 ' A' ' 61' ' ' ILE . 28.3 m-85 -47.87 -41.31 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.988 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 8.7 tp -50.11 -37.11 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -59.09 -32.17 69.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 64.25 110.324 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 92' ' ' ASN . 59.7 mt -66.22 -10.05 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 64.140000000000001 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.7 m-85 -112.57 -38.72 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 111.023 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 9.8 t70 -147.76 107.68 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.636 HD12 ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -83.92 3.32 34.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.98 -9.84 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 73.209999999999994 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.81 104.65 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 53.299999999999997 110.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.67 103.61 53.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 51.240000000000002 109.267 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.567 ' HB2' HD22 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 55.549999999999997 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.608 ' HB2' HG13 ' A' ' 58' ' ' VAL . 11.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.04 -0.356 . . . . 74.209999999999994 110.04 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt -114.7 -18.44 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 73.230000000000004 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.745 ' HB2' HG22 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -50.57 113.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 71.040000000000006 109.338 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.518 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 27.4 p -71.87 -162.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 51.200000000000003 110.372 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.854 HD23 ' CD2' ' A' ' 52' ' ' TYR . 1.6 tm? -75.92 -45.07 3.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.0 -6.68 18.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 52.119999999999997 110.978 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' N ' ' A' ' 3' ' ' THR . 30.1 mt-10 -89.12 -38.71 14.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.25 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.919 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -78.53 -32.09 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.010000000000005 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -68.71 -20.57 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 73.140000000000001 109.318 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.53 -25.88 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 74.530000000000001 110.287 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' NE2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -117.25 22.22 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.329999999999998 110.266 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.919 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -67.33 -45.89 49.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.020000000000003 109.249 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.02 0.17 9.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 63.210000000000001 110.996 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -89.1 -31.66 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 64.200000000000003 109.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.755 ' CG1' HD13 ' A' ' 134' ' ' ILE . 36.3 t -78.25 -52.06 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.340000000000003 109.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 19' ' ' THR . 17.1 ptt85 -63.31 -18.16 63.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -77.58 -41.13 39.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 32.399999999999999 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.963 HD13 ' HB3' ' A' ' 147' ' ' PRO . 2.0 pp -83.45 -25.42 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.519999999999996 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.684 HD21 HD11 ' A' ' 134' ' ' ILE . 12.8 mt -63.52 -24.45 67.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 15' ' ' ARG . 79.8 p -53.75 -25.1 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 53.350000000000001 110.407 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.86 -33.36 75.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 62.25 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.682 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.1 t90 -54.19 125.06 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 108.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.21 -12.47 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 64.430000000000007 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HB2' HG13 ' A' ' 38' ' ' VAL . 17.9 mtpt -80.0 -26.35 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 61.329999999999998 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 38' ' ' VAL . 49.0 t -68.71 126.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.019999999999996 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' CD ' ' CG ' ' A' ' 39' ' ' ARG . 3.4 mt-10 -107.54 -34.87 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 63.439999999999998 110.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -124.88 133.58 53.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 110.352 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.4 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.0 mm -120.83 105.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 63.149999999999999 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' O ' HD23 ' A' ' 34' ' ' LEU . 51.1 tt0 -133.38 145.27 50.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 72.319999999999993 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.44 157.88 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.310000000000002 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.4 m -134.41 160.05 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 64.510000000000005 109.242 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 14.5 tt0 -57.54 90.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 52.399999999999999 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER 81.35 55.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 164.36 -169.92 39.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.981 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -157.56 139.75 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 63.009999999999998 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.412 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -121.81 113.01 19.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 73.319999999999993 110.308 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.804 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.32 147.92 43.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 109.292 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -108.75 95.12 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 74.049999999999997 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 24' ' ' VAL . 4.1 t -88.74 127.97 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 64.340000000000003 109.35 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.808 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -90.03 79.79 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.219999999999999 110.256 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.859 HD13 ' CB ' ' A' ' 46' ' ' LEU . 6.1 mp -58.39 -32.12 68.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.439999999999998 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.4 ttmt -149.62 154.73 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 63.329999999999998 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -59.61 -15.02 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.340000000000003 110.38 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -128.33 15.24 6.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.289 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.583 HG23 HD12 ' A' ' 80' ' ' LEU . 8.0 m -135.9 137.37 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.439999999999998 110.41 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.997 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -129.86 133.06 46.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 63.509999999999998 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.997 ' N ' HD12 ' A' ' 45' ' ' LEU . 2.7 tm? -110.97 108.83 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 61.200000000000003 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.8 tt0 -87.29 96.3 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 64.230000000000004 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.904 HD12 ' CE2' ' A' ' 141' ' ' PHE . 2.4 tt -88.98 131.03 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.555 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -133.32 111.81 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.030000000000001 109.623 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.1 tt -85.77 130.17 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 72.209999999999994 109.3 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.4 p90 -144.42 128.94 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 64.200000000000003 110.96 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.854 ' CD2' HD23 ' A' ' 4' ' ' LEU . 84.1 t80 -71.57 150.65 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 74.310000000000002 111.029 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.845 ' OD1' HG23 ' A' ' 55' ' ' VAL . 42.0 t0 -127.86 126.64 41.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 42.450000000000003 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -81.65 3.66 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 75.519999999999996 109.622 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.845 HG23 ' OD1' ' A' ' 53' ' ' ASP . 77.3 t -67.23 -47.56 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.040000000000006 109.298 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.613 ' CD1' HG12 ' A' ' 55' ' ' VAL . 42.2 m-85 -122.77 2.76 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.239999999999995 110.976 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 64.82 47.49 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 74.319999999999993 109.636 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.2 164.06 23.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.335 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 52' ' ' TYR . 18.2 Cg_endo -74.95 149.95 37.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 52.299999999999997 110.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 2.1 m -114.97 172.68 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 53.399999999999999 109.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 137' ' ' TYR . 9.5 mt -137.75 127.31 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 42.200000000000003 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.07 118.83 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.450000000000003 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.804 ' CD1' HD21 ' A' ' 46' ' ' LEU . 28.9 p90 -129.77 162.74 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.955 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.837 ' HB3' HD11 ' A' ' 79' ' ' LEU . 7.4 mtp180 -139.88 121.89 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 110.312 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 79' ' ' LEU . 66.8 mt -69.2 138.85 54.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 72.230000000000004 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' THR . 94.4 m95 -127.62 162.87 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.040000000000006 108.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -133.63 97.74 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 62.210000000000001 109.957 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.6 125.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 72.420000000000002 109.265 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -122.63 113.09 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 72.430000000000007 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.32 29.55 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -42.82 -43.18 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.2 mt-10 -103.43 -14.84 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.48 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 44.130000000000003 109.279 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.67 2.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 74.010000000000005 109.284 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t 67.46 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 75.400000000000006 109.971 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.764 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.68 175.28 10.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 64.510000000000005 109.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.2 pp -166.88 164.28 16.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.118 . . . . 75.519999999999996 109.294 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 1.6 tpm_? -155.36 140.59 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 75.319999999999993 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.837 HD11 ' HB3' ' A' ' 64' ' ' ARG . 14.4 tp -58.21 138.55 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 61.310000000000002 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 67' ' ' SER . 61.4 mt -104.88 154.77 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 62.299999999999997 109.269 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -149.33 119.92 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 72.450000000000003 110.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -143.86 165.04 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 74.519999999999996 109.314 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -57.24 -171.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.955 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -47.39 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 65.409999999999997 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -66.28 -34.28 77.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 73.450000000000003 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.97 -35.14 74.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 62.130000000000003 110.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.049 HD21 HD12 ' A' ' 91' ' ' LEU . 1.3 tt -73.64 -51.91 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.030000000000001 109.245 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.557 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.71 -24.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.150000000000006 110.328 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -45.28 -25.85 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 62.219999999999999 110.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.474 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -117.1 -42.79 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 72.230000000000004 109.327 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.049 HD12 HD21 ' A' ' 87' ' ' LEU . 28.9 mt -75.23 178.88 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' CG ' HD12 ' A' ' 143' ' ' LEU . 70.7 m-80 -140.58 95.66 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.310000000000002 109.32 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.632 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.61 -58.07 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.519999999999996 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.88 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 71.219999999999999 111.035 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LEU . 3.5 t -113.25 -21.04 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 64.430000000000007 110.363 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.436 ' CG ' HD11 ' A' ' 140' ' ' ILE . 6.1 m-85 -62.11 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 63.530000000000001 111.007 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.16 168.99 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.25 110.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG22 ' H ' ' A' ' 99' ' ' THR . 11.5 p -153.41 171.42 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 75.129999999999995 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.532 ' H ' HG22 ' A' ' 98' ' ' VAL . 2.8 m -146.38 110.3 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 34.039999999999999 110.375 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.988 HD12 ' O ' ' A' ' 110' ' ' TYR . 19.1 tp -98.67 122.75 42.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 61.25 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -115.5 132.58 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 72.109999999999999 109.991 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.976 HG23 HG22 ' A' ' 109' ' ' VAL . 2.7 m -116.29 152.69 33.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 110.456 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.8 166.16 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 75.25 109.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.61 -13.51 22.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 62.240000000000002 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -92.9 -15.86 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 72.510000000000005 110.342 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.494 ' HA ' HG22 ' A' ' 102' ' ' THR . 7.7 mtt 56.99 22.35 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 64.549999999999997 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -38.96 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 70.299999999999997 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.2 p -106.34 127.7 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.450000000000003 109.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.976 HG22 HG23 ' A' ' 102' ' ' THR . 2.3 t -144.12 141.58 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 74.549999999999997 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.988 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -132.66 151.55 51.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 110.991 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.958 ' CD1' HD13 ' A' ' 100' ' ' LEU . 51.6 m-85 -108.4 79.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.140000000000001 110.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 96.1 m-85 -68.96 114.78 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 71.340000000000003 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 61' ' ' ILE . 6.0 mt -77.69 140.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -60.36 114.17 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 109.249 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -145.82 28.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 16.8 p -76.18 -46.48 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.400000000000006 108.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' ALA . 4.9 m-20 -96.99 42.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.219999999999999 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.473 ' HB ' HG21 ' A' ' 58' ' ' VAL . 30.6 m -45.5 -25.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 110.373 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.421 ' HB3' ' N ' ' A' ' 0' ' ' SER . 5.0 p-10 -68.93 -43.54 74.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 41.350000000000001 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' ASP . . . -81.68 -10.82 59.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 62.409999999999997 109.334 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.75 ' HB3' HD11 ' A' ' 136' ' ' LEU . 4.2 m-20 -74.5 -69.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 64.439999999999998 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.938 ' HB ' HD13 ' A' ' 136' ' ' LEU . 4.8 p -103.65 -50.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 72.5 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.473 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 36.97 48.43 1.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 44.140000000000001 111.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.4 ' CB ' ' HG2' ' A' ' 132' ' ' ARG . 7.6 p -91.86 -75.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 73.420000000000002 109.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -151.78 124.88 8.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 74.540000000000006 109.283 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.745 HG22 ' HB2' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -53.69 -28.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 72.530000000000001 109.296 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -68.41 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 71.299999999999997 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -95.22 46.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.626 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.575 ' CE1' HG13 ' A' ' 122' ' ' VAL . 2.0 t80 -84.33 -33.66 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 73.120000000000005 110.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.678 ' O ' HG22 ' A' ' 134' ' ' ILE . 4.3 mm? -67.06 -28.22 68.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 65.150000000000006 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p -86.55 -34.92 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.240000000000002 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' CB ' ' A' ' 124' ' ' SER . 9.9 tpt180 -85.35 -16.45 39.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 78.6 t90 -87.18 -47.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.013 -1.106 . . . . 53.329999999999998 108.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.962 HG21 HD21 ' A' ' 17' ' ' LEU . 5.8 tp -56.54 -47.9 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.319999999999993 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.537 ' HA ' HG22 ' A' ' 138' ' ' ILE . 3.5 t -73.12 -0.34 13.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.349999999999994 109.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.938 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.99 -41.32 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 74.439999999999998 109.276 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.777 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -94.0 -47.39 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 64.310000000000002 111.025 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.682 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 6.9 tp -44.5 -26.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.040000000000006 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 137' ' ' TYR . 47.0 mtp180 -64.28 -43.54 94.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 75.200000000000003 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 137' ' ' TYR . 73.9 mt -57.47 -15.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.209999999999994 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.904 ' CE2' HD12 ' A' ' 48' ' ' LEU . 5.2 m-85 -106.32 -34.84 7.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 63.109999999999999 110.963 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -148.48 108.69 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 73.239999999999995 109.325 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.458 HD12 ' CG ' ' A' ' 92' ' ' ASN . 6.6 mt -87.9 3.64 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -108.5 -16.17 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 73.200000000000003 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.495 ' HZ ' HD12 ' A' ' 17' ' ' LEU . 70.1 t80 -79.13 110.31 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.25 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.54 116.31 57.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.439999999999998 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.963 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 73.010000000000005 111.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.992 -0.373 . . . . 64.340000000000003 109.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 46.71 23.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 63.310000000000002 110.995 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.717 HD21 ' HB2' ' A' ' 7' ' ' TYR . 17.0 tp -68.7 114.69 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 66.0 p -79.79 -172.83 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 53.420000000000002 110.42 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -76.46 -45.43 3.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 109.299 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.07 -8.43 19.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 60.030000000000001 110.947 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB3' HD12 ' A' ' 2' ' ' LEU . 11.2 mm-40 -88.28 -39.35 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 75.439999999999998 110.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.931 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.15 -35.02 20.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 70.150000000000006 110.956 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -64.39 -17.82 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 73.540000000000006 109.319 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -74.16 -27.17 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 63.329999999999998 110.334 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.1 mt-30 -109.39 12.45 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 74.439999999999998 110.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.931 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.8 OUTLIER -60.56 -46.62 97.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 109.358 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.512 1.796 . . . . 74.549999999999997 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.7 m-20 -93.23 -34.29 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 72.319999999999993 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.984 ' O ' HD23 ' A' ' 18' ' ' LEU . 90.7 t -75.71 -39.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 60.240000000000002 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' THR . 40.9 ptt85 -73.82 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -73.14 -46.39 51.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.510000000000005 110.015 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 HD22 ' A' ' 18' ' ' LEU . 4.6 pp -74.24 -26.76 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 74.430000000000007 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.984 HD23 ' O ' ' A' ' 14' ' ' VAL . 1.7 mm? -58.67 -31.15 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 109.347 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 15' ' ' ARG . 27.2 p -61.62 -13.42 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 63.030000000000001 110.381 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -82.82 -23.58 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 72.420000000000002 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.73 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.9 t90 -61.18 128.31 35.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 108.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -15.67 37.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 70.230000000000004 109.305 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.628 ' NZ ' HD22 ' A' ' 40' ' ' LEU . 1.4 mtpm? -85.2 -26.2 26.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.558 HG23 ' CE3' ' A' ' 21' ' ' TRP . 35.5 t -69.11 113.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.010000000000005 109.328 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.24 -40.43 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 27' ' ' ILE . 22.3 ttt85 -124.96 156.57 37.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.916 ' CD1' HD23 ' A' ' 36' ' ' LEU . 2.2 mm -141.17 109.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 64.239999999999995 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.514 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 47.6 tt0 -127.69 161.48 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 72.019999999999996 110.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 4.5 p30 -118.2 161.96 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 73.340000000000003 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.5 m -139.46 179.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.099999999999994 109.267 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 6.7 tt0 -76.38 93.69 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.120000000000005 110.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' OD2' HD21 ' A' ' 4' ' ' LEU . 2.0 t70 80.6 45.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.473 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 170.26 -171.83 43.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 70.540000000000006 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.564 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -149.87 149.99 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 74.319999999999993 109.313 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' NE2' ' HB3' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -126.4 116.37 21.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 110.256 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.956 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.29 146.67 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 72.109999999999999 109.286 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.89 95.22 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.314 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.894 HG12 ' CD2' ' A' ' 40' ' ' LEU . 96.0 t -82.78 106.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.510000000000005 110.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.894 ' CD2' HG12 ' A' ' 38' ' ' VAL . 1.2 mm? -57.69 -28.45 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.019999999999996 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -153.09 163.75 39.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.420000000000002 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -63.05 -12.12 24.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 110.378 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.7 10.54 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 74.510000000000005 109.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.433 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 36.2 m -123.48 126.67 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.889 HD11 ' HG3' ' A' ' 47' ' ' GLU . 1.5 tm? -112.83 134.47 54.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.591 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -125.75 106.09 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 73.400000000000006 109.306 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.889 ' HG3' HD11 ' A' ' 45' ' ' LEU . 21.6 mt-10 -81.89 112.43 19.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 62.119999999999997 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.807 HD21 HG23 ' A' ' 61' ' ' ILE . 1.9 tm? -96.58 122.23 39.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 75.209999999999994 109.256 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 62' ' ' LYS . 11.2 m170 -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 73.420000000000002 109.611 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -122.98 122.24 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 63.439999999999998 109.252 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -142.12 174.01 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -104.84 146.64 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 75.230000000000004 111.034 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -115.38 111.77 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.284 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -81.02 3.54 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 109.618 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 56' ' ' TYR . 13.1 m -81.88 -37.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 74.420000000000002 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.616 ' CD2' HG23 ' A' ' 55' ' ' VAL . 36.4 m-85 -122.61 -1.91 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.040000000000006 111.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.7 m-70 63.12 50.69 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.537 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -153.46 163.58 23.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 73.349999999999994 109.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.563 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.98 160.48 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 65.329999999999998 111.06 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 33.5 t -136.82 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.239999999999995 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.807 HG23 HD21 ' A' ' 48' ' ' LEU . 10.9 mt -137.61 131.23 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 109.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.49 ' HZ2' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -144.01 134.53 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.322 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 17.3 p90 -148.57 159.98 43.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 71.340000000000003 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.789 ' CB ' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -131.87 113.17 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.420000000000002 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.558 HD23 ' HG ' ' A' ' 46' ' ' LEU . 66.7 mt -53.42 141.1 25.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 53.020000000000003 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.84 ' CZ2' HD12 ' A' ' 79' ' ' LEU . 96.3 m95 -124.12 160.82 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.329999999999998 108.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.879 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.86 97.7 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 72.120000000000005 109.961 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.47 125.44 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.278 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -122.51 112.62 18.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.49 34.57 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 64.200000000000003 110.384 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.79 -44.83 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 75.310000000000002 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 74' ' ' ILE . 3.6 mt-10 -103.56 -12.15 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 61.399999999999999 110.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.6 t70 81.28 51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 109.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 1.32 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 64.040000000000006 109.335 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 t 66.7 47.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 55.310000000000002 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.792 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -87.18 175.45 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 53.409999999999997 109.992 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.511 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -167.57 166.08 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.109999999999999 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -155.38 139.61 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 71.409999999999997 110.365 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.84 HD12 ' CZ2' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -64.67 131.14 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 45.43 109.344 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.879 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.0 mt -98.99 156.04 17.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.685 HG21 HG21 ' A' ' 109' ' ' VAL . 1.6 p -141.8 98.32 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 110.435 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -129.53 167.71 17.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 72.230000000000004 109.308 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -72.68 -168.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 75.019999999999996 110.008 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' LEU . 8.5 m-20 -72.29 -54.83 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.297 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 m -38.76 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 74.25 110.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.824 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.3 mt-10 -89.38 -44.19 10.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 65.109999999999999 110.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' ASP . 7.7 tt -58.38 -56.25 24.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 71.030000000000001 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -55.17 -17.8 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 50.130000000000003 110.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.758 ' HB3' HD13 ' A' ' 90' ' ' ILE . 3.3 t -57.51 -28.03 63.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 42.409999999999997 109.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 89' ' ' SER . 0.0 OUTLIER -120.2 -40.14 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.334 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 5.4 mt -83.71 160.75 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.230000000000004 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 140' ' ' ILE . 23.1 m120 -117.54 99.12 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 65.540000000000006 109.363 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -88.6 -57.76 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 74.519999999999996 109.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.73 -93.72 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 64.409999999999997 110.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 t -103.27 -14.96 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 54.310000000000002 110.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -75.21 172.23 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 74.340000000000003 111.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.492 ' CB ' ' ND2' ' A' ' 114' ' ' ASN . 2.5 m -138.21 162.23 34.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 63.140000000000001 110.014 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 113' ' ' ILE . 3.1 t -138.88 161.2 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 53.229999999999997 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 8.8 m -131.83 102.93 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 110.389 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.001 HD13 ' CD1' ' A' ' 111' ' ' TYR . 36.9 tp -88.18 122.91 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 60.420000000000002 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 t -118.65 130.96 56.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 65.540000000000006 110.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.928 HG23 HG22 ' A' ' 109' ' ' VAL . 2.1 m -108.41 150.54 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.349999999999994 110.412 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -85.44 171.91 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 71.099999999999994 109.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.6 ptm -66.07 -10.1 37.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 71.530000000000001 110.981 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -100.68 -19.11 16.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 60.520000000000003 110.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.679 ' HA ' HG22 ' A' ' 102' ' ' THR . 5.6 ttm 63.22 16.92 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 44.420000000000002 111.007 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -15.65 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 73.129999999999995 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 m -129.2 126.38 39.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 54.32 110.025 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.928 HG22 HG23 ' A' ' 102' ' ' THR . 2.0 t -141.29 132.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.340000000000003 109.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.988 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -118.05 154.33 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 110.997 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 1.001 ' CD1' HD13 ' A' ' 100' ' ' LEU . 65.2 m-85 -112.81 82.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.010000000000005 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 90.3 m-85 -73.83 109.38 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 61.109999999999999 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.616 ' HA ' HG22 ' A' ' 98' ' ' VAL . 5.9 mt -60.2 142.37 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.409999999999997 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.492 ' ND2' ' CB ' ' A' ' 97' ' ' SER . 3.4 m-20 -61.47 107.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 72.030000000000001 109.322 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 9.3 t30 -136.55 92.7 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 64.409999999999997 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.06 -55.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 52.25 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 3.1 m-20 -108.43 75.13 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 74.109999999999999 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.828 HG22 ' OH ' ' A' ' 129' ' ' TYR . 2.3 m -83.14 -58.55 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 63.399999999999999 110.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -50.53 -26.38 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 72.299999999999997 109.326 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.71 -28.45 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 61.43 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 118' ' ' THR . 4.0 m-20 -86.76 -70.13 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.340000000000003 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.903 HG22 HD13 ' A' ' 136' ' ' LEU . 57.8 t -62.83 -65.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 62.299999999999997 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.09 -23.27 15.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 53.210000000000001 110.97 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.638 ' H ' HG12 ' A' ' 122' ' ' VAL . 50.1 m -38.02 140.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 45.32 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.5 174.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 61.009999999999998 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.583 HG13 HD13 ' A' ' 2' ' ' LEU . 23.9 t -84.69 -8.19 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 71.409999999999997 109.316 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.52 -67.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 110.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -112.79 47.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 75.400000000000006 109.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.828 ' OH ' HG22 ' A' ' 118' ' ' THR . 4.6 t80 -75.92 -43.21 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 65.519999999999996 110.961 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.785 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.5 mm? -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 64.329999999999998 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.1 p -89.47 -51.16 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 70.129999999999995 110.43 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -16.96 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 54.43 110.297 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.57 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 65.4 t90 -83.61 -61.8 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.977 -1.119 . . . . 63.509999999999998 107.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -56.42 -55.31 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 74.349999999999994 109.361 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 134' ' ' ILE . 30.2 t -55.3 -17.33 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 73.239999999999995 109.96 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.903 HD13 HG22 ' A' ' 122' ' ' VAL . 2.6 tt -91.97 -34.37 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.219999999999999 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.69 ' HB3' HD13 ' A' ' 61' ' ' ILE . 11.4 m-85 -94.32 -2.4 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 75.310000000000002 111.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.73 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.0 tp -84.4 -20.57 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 75.530000000000001 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -68.64 -7.39 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 92' ' ' ASN . 17.1 mt -88.98 -10.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 69.9 m-85 -119.58 -32.52 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 71.049999999999997 111.029 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 12.6 t0 -147.11 121.73 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 53.240000000000002 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.429 HD12 ' OD1' ' A' ' 92' ' ' ASN . 2.6 mt -98.16 3.1 49.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.84 -11.99 12.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 60.439999999999998 109.319 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.49 ' CE2' HG12 ' A' ' 138' ' ' ILE . 28.9 t80 -72.34 113.0 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 72.430000000000007 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.52 109.66 61.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.458 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.462 1.769 . . . . 74.409999999999997 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.453 ' OG ' ' CB ' ' A' ' 119' ' ' ASP . 4.9 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.022 -0.362 . . . . 75.310000000000002 110.022 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmm -119.24 -9.29 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 64.140000000000001 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 7' ' ' TYR . 10.2 tp -49.98 101.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.5 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.508 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 62.9 p -75.02 -165.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.407 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.3 tm? -76.85 -45.47 3.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 64.329999999999998 109.277 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.99 -10.26 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 71.209999999999994 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.559 ' HB3' HD12 ' A' ' 2' ' ' LEU . 13.6 mm-40 -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 72.230000000000004 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.846 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -87.28 -20.26 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 110.976 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' ND2' HD11 ' A' ' 4' ' ' LEU . 3.6 m-20 -78.02 -15.07 59.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 72.030000000000001 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.51 -32.01 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 72.430000000000007 110.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -100.93 11.45 39.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 75.209999999999994 110.339 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -58.48 -45.58 99.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 64.209999999999994 109.301 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.93 0.26 9.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 72.030000000000001 111.035 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 m-20 -93.76 -35.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 130' ' ' LEU . 25.2 t -75.57 -48.0 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 73.400000000000006 109.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HD2' HD21 ' A' ' 34' ' ' LEU . 3.8 ptm180 -65.9 -18.91 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 19' ' ' THR . 27.4 t -74.93 -46.6 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 110.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.961 HD13 ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -77.84 -24.69 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -59.28 -18.21 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 16' ' ' SER . 70.4 p -67.25 -9.82 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 71.239999999999995 110.366 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -81.9 -14.6 55.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 62.25 109.247 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.756 ' CZ3' HG21 ' A' ' 38' ' ' VAL . 1.6 t90 -75.03 128.56 35.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 107.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.16 -15.02 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.62 -13.42 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' CE3' ' A' ' 21' ' ' TRP . 24.2 t -73.97 128.04 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 64.420000000000002 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -110.69 -28.08 8.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 71.219999999999999 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -131.64 141.28 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 70.510000000000005 110.276 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -130.2 104.8 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 63.43 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.96 139.32 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 73.099999999999994 110.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.541 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.5 p-10 -99.54 163.84 12.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 54.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' CA ' ' A' ' 34' ' ' LEU . 34.3 m -140.76 165.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.519999999999996 109.336 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -90.73 31.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -164.76 30.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 109.298 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.92 -120.31 2.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -163.21 150.43 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 71.510000000000005 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.78 109.68 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 110.29 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.21 170.32 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 109.298 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 70.2 m-20 -129.08 94.89 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.319999999999993 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.756 HG21 ' CZ3' ' A' ' 21' ' ' TRP . 9.0 t -85.67 148.53 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.230000000000004 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.15 79.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 70.340000000000003 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.097 HD13 HD12 ' A' ' 90' ' ' ILE . 22.4 mt -53.15 -42.39 66.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 5.2 ttmm -136.46 156.69 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 73.340000000000003 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.53 -16.96 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 52.240000000000002 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.03 17.92 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 73.109999999999999 109.302 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 66' ' ' TRP . 27.4 m -132.3 148.1 52.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 72.409999999999997 110.405 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.779 ' C ' HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -128.78 136.29 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 54.539999999999999 109.281 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -116.22 97.65 6.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.541 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.2 tt0 -78.19 101.5 7.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.775 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -94.93 130.79 41.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 71.120000000000005 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.97 113.81 13.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 62.439999999999998 109.673 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 8.8 tt -87.33 135.02 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 51.420000000000002 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.0 p90 -153.4 133.08 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.510000000000005 110.97 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -83.04 154.13 24.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 75.530000000000001 110.982 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 48.4 t0 -116.15 137.62 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 72.530000000000001 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -88.29 3.89 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 63.530000000000001 109.577 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -86.47 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 71.230000000000004 109.249 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 75.7 m-85 -91.01 -11.83 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.967 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 39.0 m-70 65.53 43.39 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 61.100000000000001 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -147.76 167.42 13.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 64.310000000000002 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.95 153.41 41.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.791 . . . . 75.019999999999996 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -126.12 173.52 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 70.010000000000005 110.01 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.558 ' CD1' ' CG ' ' A' ' 137' ' ' TYR . 12.2 mt -138.01 127.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 122.53 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.329999999999998 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.806 ' CD1' HD21 ' A' ' 46' ' ' LEU . 54.9 p90 -138.34 152.9 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 71.420000000000002 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.699 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.0 mtm180 -121.54 121.25 37.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.219999999999999 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.13 HD11 HD13 ' A' ' 87' ' ' LEU . 34.5 mt -65.47 143.8 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 64.310000000000002 109.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.615 ' O ' HG23 ' A' ' 44' ' ' THR . 91.5 m95 -137.8 155.91 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 71.340000000000003 107.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.717 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -127.2 97.57 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.209999999999994 109.976 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.2 123.19 20.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 109.332 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -119.88 110.48 16.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.5 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.77 33.4 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 74.239999999999995 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -44.32 -43.38 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 110.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -104.17 -12.99 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER 81.71 52.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 75.540000000000006 109.274 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.65 -5.01 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 73.109999999999999 109.28 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t 73.82 41.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.439999999999998 110.012 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.81 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -78.92 175.08 10.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 74.120000000000005 110.037 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.5 pp -168.34 162.6 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.530000000000001 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -155.47 130.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 110.322 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.2 tp -49.53 134.04 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 73.310000000000002 109.286 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 67' ' ' SER . 36.7 mt -100.02 162.32 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 75.430000000000007 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -159.45 112.76 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 65.510000000000005 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -143.05 166.99 23.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 43.140000000000001 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -55.88 -173.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 72.109999999999999 109.99 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -80.58 -38.47 29.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 65.140000000000001 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -70.45 -32.81 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 63.240000000000002 109.997 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.531 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.2 mt-10 -74.35 -32.16 62.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.13 HD13 HD11 ' A' ' 65' ' ' LEU . 8.1 tp -82.55 -33.55 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 72.420000000000002 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -54.53 -19.92 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 63.229999999999997 110.274 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -55.1 -23.91 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 110.037 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.097 HD12 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -116.12 -37.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 72.299999999999997 109.292 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 27.5 mt -84.66 177.86 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 75.439999999999998 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.0 m-80 -145.39 97.61 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.626 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.7 -58.32 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 64.349999999999994 109.312 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.62 -82.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LEU . 1.2 t -110.44 -23.23 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 61.399999999999999 110.427 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.63 -169.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 111.021 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -149.48 167.11 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 72.329999999999998 109.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 113' ' ' ILE . 12.1 p -151.44 156.74 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -134.79 123.04 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.129999999999995 110.401 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 101' ' ' SER . 4.8 tt -92.22 135.79 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 64.040000000000006 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.885 ' N ' HD23 ' A' ' 100' ' ' LEU . 26.6 t -128.53 143.61 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 41.420000000000002 110.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.952 HG23 HG22 ' A' ' 109' ' ' VAL . 25.1 m -130.37 147.24 52.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.230000000000004 110.415 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -80.53 149.53 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.1 ttp -61.71 -18.99 61.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 111.005 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -83.64 -10.96 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 35.210000000000001 110.308 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 mtt 51.22 27.47 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 52.140000000000001 110.969 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -35.85 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 71.439999999999998 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 p -132.56 156.72 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 72.140000000000001 109.958 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.952 HG22 HG23 ' A' ' 102' ' ' THR . 9.9 t -149.16 159.45 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.28 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -152.62 168.62 25.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 75.200000000000003 110.997 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.832 ' CE2' HD12 ' A' ' 100' ' ' LEU . 74.1 m-85 -122.6 111.96 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 111.034 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -90.85 110.83 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 73.099999999999994 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.533 ' HA ' HG23 ' A' ' 98' ' ' VAL . 3.6 mt -74.38 142.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 109.291 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.79 113.12 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 62.32 109.281 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -134.56 27.86 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 71.519999999999996 109.344 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.55 -37.89 13.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 73.400000000000006 108.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.27 38.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.229999999999997 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.653 HG22 ' OH ' ' A' ' 129' ' ' TYR . 3.6 m -82.99 -56.86 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 33.140000000000001 110.412 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.453 ' CB ' ' OG ' ' A' ' 0' ' ' SER . 2.9 p30 -50.8 -26.2 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 64.030000000000001 109.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.73 -28.4 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 40.409999999999997 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 118' ' ' THR . 36.1 m-20 -86.47 -69.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.284 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.766 ' HB ' HD13 ' A' ' 136' ' ' LEU . 1.3 p -63.75 -49.59 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 45.409999999999997 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 126.65 -163.9 20.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 64.439999999999998 111.044 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' VAL . 64.0 p -109.34 -23.07 11.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 65.219999999999999 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 64.400000000000006 109.258 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.768 HG23 HD13 ' A' ' 2' ' ' LEU . 1.7 p -77.02 -7.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -50.6 -67.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 53.32 110.27 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.3 m-70 -125.95 46.73 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.519999999999996 109.596 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.653 ' OH ' HG22 ' A' ' 118' ' ' THR . 4.0 t80 -70.09 -37.15 75.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.844 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.7 mm? -66.7 -27.9 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 64.329999999999998 109.258 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -90.4 -32.02 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 71.430000000000007 110.377 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 128' ' ' HIS . 28.6 mtt180 -86.43 -16.27 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 75.040000000000006 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 83.5 t90 -88.38 -46.29 9.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.989 -1.115 . . . . 65.019999999999996 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.809 HG21 HD21 ' A' ' 17' ' ' LEU . 7.5 tp -56.17 -50.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 70.230000000000004 109.334 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.507 ' HA ' HG22 ' A' ' 138' ' ' ILE . 8.6 t -71.46 -1.35 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 75.439999999999998 110.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.766 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.57 -42.91 7.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 70.510000000000005 109.339 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.635 ' C ' ' CD1' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -91.55 -47.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.109999999999999 110.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 134' ' ' ILE . 7.3 tp -44.51 -31.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 71.299999999999997 109.295 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.61 -42.1 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 73.239999999999995 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 65.6 mt -58.9 -14.29 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.775 ' CE2' HD12 ' A' ' 48' ' ' LEU . 7.2 m-85 -108.85 -32.68 7.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 73.519999999999996 111.001 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.514 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -148.76 107.17 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.209999999999994 109.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -86.95 2.71 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 52.030000000000001 109.299 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -112.36 -16.27 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 70.409999999999997 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.441 ' HZ ' HD12 ' A' ' 17' ' ' LEU . 63.3 t80 -72.64 112.4 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 111.016 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 116.58 56.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.030000000000001 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.961 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 65.420000000000002 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 119' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.037 -0.356 . . . . 62.340000000000003 110.037 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmm -132.01 5.95 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 51.210000000000001 111.032 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 7' ' ' TYR . 11.4 tp -51.83 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.485 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 81.1 p -74.83 -170.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 54.340000000000003 110.392 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.34 -46.05 4.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 55.329999999999998 109.285 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.01 -7.5 19.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 74.109999999999999 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 2' ' ' LEU . 13.7 mm-40 -88.59 -38.57 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.867 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -87.5 -36.49 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 71.420000000000002 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.584 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -65.93 -17.37 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 109.271 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -74.4 -24.11 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.9 mt-30 -115.27 16.39 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 52.43 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.867 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -62.33 -46.56 90.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 70.340000000000003 109.332 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 75.340000000000003 110.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.4 m-20 -90.83 -34.04 15.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 65.25 109.322 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.958 ' CG1' HD13 ' A' ' 134' ' ' ILE . 69.3 t -74.88 -46.73 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 73.120000000000005 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.768 ' HA ' HD22 ' A' ' 18' ' ' LEU . 20.6 ptt180 -67.48 -19.15 65.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.804 ' O ' HG23 ' A' ' 19' ' ' THR . 14.4 t -68.24 -62.32 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 110.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.864 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.0 pp -61.15 -24.22 66.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.109999999999999 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.863 HD23 HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -55.34 -24.24 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.150000000000006 109.282 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 16' ' ' SER . 63.3 p -55.97 -17.44 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 74.5 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 26.5 mmmt -78.24 -37.89 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.2 t90 -52.59 112.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 74.340000000000003 107.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.35 48.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 65.140000000000001 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -77.47 -24.65 50.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' CD2' ' A' ' 21' ' ' TRP . 22.5 t -68.88 111.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 61.210000000000001 109.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -98.13 -21.77 16.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 50.340000000000003 110.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.42 145.16 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.25 110.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.693 HD13 HD23 ' A' ' 36' ' ' LEU . 1.7 mm -132.84 112.51 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.711 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.9 tt0 -146.97 156.57 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 71.120000000000005 110.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 30' ' ' VAL . 7.5 t70 -119.1 166.76 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 71.349999999999994 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' N ' ' OD2' ' A' ' 29' ' ' ASP . 2.4 m -139.36 179.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 54.340000000000003 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 20.0 tt0 -73.42 92.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 78.27 47.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 61.32 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 172.97 -166.52 39.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 62.149999999999999 111.02 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -156.54 142.95 18.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 72.450000000000003 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -127.79 111.15 13.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 74.349999999999994 110.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.863 HD21 HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -119.36 170.62 8.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 75.209999999999994 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.796 ' OD2' HD21 ' A' ' 45' ' ' LEU . 11.3 t70 -117.18 98.43 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 65.519999999999996 109.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.67 HG12 HD12 ' A' ' 40' ' ' LEU . 41.9 t -89.03 114.48 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 73.230000000000004 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -89.5 95.4 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 110.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 HG12 ' A' ' 38' ' ' VAL . 8.8 mp -75.0 -47.77 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 109.293 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 6.4 ttmt -137.97 154.62 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 55.149999999999999 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 -14.38 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.439999999999998 110.395 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -125.56 18.32 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 60.340000000000003 109.307 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -146.14 132.86 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 54.409999999999997 110.389 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -126.44 131.63 51.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 73.019999999999996 109.288 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.994 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.6 tm? -116.95 112.78 21.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 73.200000000000003 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' OE2' ' CD1' ' A' ' 66' ' ' TRP . 1.4 mp0 -85.53 137.96 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.140000000000001 110.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.689 HD23 ' CE2' ' A' ' 141' ' ' PHE . 2.0 tm? -116.6 116.64 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 65.430000000000007 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.493 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.3 m170 -121.02 102.06 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.627 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 10.6 tt -85.66 134.07 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 64.530000000000001 109.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.7 p90 -150.2 135.38 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 74.209999999999994 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.6 t80 -80.96 154.8 26.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.219999999999999 110.971 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.767 ' OD2' HG23 ' A' ' 55' ' ' VAL . 62.3 t0 -130.64 131.95 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.42 3.69 38.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 64.430000000000007 109.639 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.767 HG23 ' OD2' ' A' ' 53' ' ' ASP . 54.4 t -68.19 -47.39 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 74.030000000000001 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.701 ' CD2' HG12 ' A' ' 55' ' ' VAL . 46.3 m-85 -122.33 3.87 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.530000000000001 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 60.93 51.85 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 65.140000000000001 109.581 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.455 HG11 ' HB ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.44 164.84 19.33 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.340000000000003 109.261 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.98 151.28 39.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 54.229999999999997 111.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.8 t -120.19 172.24 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 62.25 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.582 HD11 ' CZ2' ' A' ' 133' ' ' TRP . 10.3 mt -137.74 141.14 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 62.020000000000003 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 7.3 ttpt -154.41 118.52 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.639 ' HB2' HD21 ' A' ' 46' ' ' LEU . 22.4 p90 -128.97 170.29 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 75.129999999999995 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.585 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 8.6 mtp180 -140.69 141.41 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 72.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.976 ' O ' HD12 ' A' ' 79' ' ' LEU . 73.0 mt -86.52 137.77 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.209999999999994 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.585 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 90.1 m95 -129.43 172.85 11.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.230000000000004 108.017 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.974 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -142.67 97.34 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 71.329999999999998 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -67.9 123.24 20.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -119.01 113.47 21.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 53.420000000000002 109.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.58 34.81 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 42.020000000000003 110.396 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -51.83 -44.41 63.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.549999999999997 110.301 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.655 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.9 mt-10 -102.62 -2.91 27.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 75.310000000000002 110.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.62 48.29 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 45.340000000000003 109.271 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.728 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.78 -8.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 70.25 109.245 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.4 t 83.23 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.439999999999998 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.669 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -80.05 177.55 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 61.200000000000003 109.982 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.7 pp -170.54 163.49 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 71.010000000000005 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' SER . 54.7 ttt85 -155.31 142.38 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 53.219999999999999 110.251 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.976 HD12 ' O ' ' A' ' 65' ' ' LEU . 28.8 tp -66.7 136.82 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.323 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 67' ' ' SER . 90.3 mt -109.16 162.19 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 72.120000000000005 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -144.85 95.45 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 110.361 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.796 HD11 HD13 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -127.92 167.35 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.530000000000001 109.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 m -74.54 -168.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 110.037 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' GLU . 56.5 m-20 -71.43 -54.16 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.239999999999995 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -38.33 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.200000000000003 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.678 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.7 mt-10 -88.33 -47.36 8.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 65.430000000000007 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.876 HD13 HD11 ' A' ' 65' ' ' LEU . 53.5 tp -54.67 -57.98 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 64.109999999999999 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.97 -30.38 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.120000000000005 110.3 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.6 t -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.109999999999999 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -123.38 -42.86 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.317 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 87' ' ' LEU . 14.7 mt -75.77 166.18 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 73.019999999999996 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.843 ' CG ' HD12 ' A' ' 143' ' ' LEU . 68.2 m-80 -121.7 97.17 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 64.109999999999999 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.51 -58.19 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.284 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.12 -85.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -114.0 -18.47 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 75.219999999999999 110.404 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' HD11 ' A' ' 140' ' ' ILE . 8.4 m-85 -61.27 173.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.430000000000007 111.005 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 98' ' ' VAL . 19.4 m -130.1 166.38 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 62.539999999999999 110.009 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 99' ' ' THR . 3.2 t -153.68 163.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.492 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -150.77 112.13 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 75.430000000000007 110.395 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.004 HD11 HG12 ' A' ' 109' ' ' VAL . 50.7 tp -80.1 129.36 34.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 73.310000000000002 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -129.52 157.8 41.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.040000000000006 109.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.884 ' OG1' HG13 ' A' ' 109' ' ' VAL . 52.5 m -138.01 149.24 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 44.539999999999999 110.397 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -76.73 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 109.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 ptp -61.32 -29.79 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.140000000000001 111.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -69.54 -16.38 63.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.010000000000005 110.342 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.9 mtt 49.7 24.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 72.409999999999997 110.999 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.09 -17.38 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 61.149999999999999 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.778 ' O ' HG23 ' A' ' 102' ' ' THR . 1.4 t -131.49 156.07 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 71.219999999999999 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.004 HG12 HD11 ' A' ' 100' ' ' LEU . 2.2 t -142.56 136.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -138.05 146.82 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 110.999 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.835 ' CE1' HD13 ' A' ' 100' ' ' LEU . 99.1 m-85 -103.7 126.24 50.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 35.7 m-85 -103.61 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 111.038 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -70.15 134.35 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -54.29 111.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 74.099999999999994 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 8.8 p-10 -139.56 47.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.2 p -92.62 -46.41 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 74.530000000000001 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -105.07 78.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.908 HG22 ' OH ' ' A' ' 129' ' ' TYR . 4.5 m -80.96 -56.7 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 51.350000000000001 110.409 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 0' ' ' SER . 8.0 t0 -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.75 -14.35 39.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 54.310000000000002 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 9.4 m-20 -94.4 -69.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 41.149999999999999 109.306 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.808 ' HB ' HD13 ' A' ' 136' ' ' LEU . 8.9 p -81.62 -54.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.530000000000001 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.569 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 83.43 -16.97 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 63.299999999999997 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.6 p -38.73 142.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 60.350000000000001 110.05 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.83 -179.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 109.332 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 2' ' ' LEU . 19.3 t -84.69 -8.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 61.549999999999997 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.3 -67.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 64.530000000000001 110.296 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -115.89 47.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.573 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.908 ' OH ' HG22 ' A' ' 118' ' ' THR . 2.9 t80 -73.21 -42.74 62.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.5 mm? -68.79 -22.81 64.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -90.12 -33.09 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 73.030000000000001 110.393 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -89.09 -16.75 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 74.200000000000003 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.582 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 76.5 t90 -86.18 -37.64 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 108.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.958 HD13 ' CG1' ' A' ' 14' ' ' VAL . 7.3 tp -61.4 -47.62 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 61.43 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.622 ' HA ' HG22 ' A' ' 138' ' ' ILE . 2.8 t -72.61 0.1 11.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 75.019999999999996 110.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.808 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -94.98 -43.61 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 52.32 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.793 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -94.42 -45.65 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 73.099999999999994 111.044 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.92 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.9 tp -46.75 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 72.510000000000005 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 137' ' ' TYR . 19.0 mtp180 -64.28 -40.93 96.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 62.43 110.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.565 HD11 ' CD2' ' A' ' 96' ' ' PHE . 32.4 mt -62.59 -11.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.689 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.8 m-85 -107.54 -38.38 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -148.85 122.15 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 61.409999999999997 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.843 HD12 ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -97.71 3.92 50.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 63.030000000000001 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.06 -13.6 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 73.099999999999994 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -94.37 105.19 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 110.999 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.21 98.61 40.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 62.530000000000001 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.864 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.534 1.807 . . . . 72.219999999999999 110.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.589 ' HB2' HG13 ' A' ' 58' ' ' VAL . 20.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.023 -0.362 . . . . 70.5 110.023 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm -131.71 5.37 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.219999999999999 110.962 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 7' ' ' TYR . 11.9 tp -50.47 105.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 44.130000000000003 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.479 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 58.4 p -76.22 -170.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.239999999999995 110.374 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.89 -46.01 3.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 61.420000000000002 109.277 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.02 -7.96 19.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 71.439999999999998 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HB3' HD12 ' A' ' 2' ' ' LEU . 5.5 mm-40 -88.59 -44.3 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 72.129999999999995 110.263 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.849 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.06 -38.37 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 110.981 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -63.0 -15.76 57.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 62.240000000000002 109.313 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.28 -28.23 47.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 65.109999999999999 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -106.89 12.5 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.209999999999994 110.29 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.779 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -57.45 -46.51 99.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 109.296 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 74.450000000000003 110.964 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 2.9 m-20 -93.45 -35.39 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 74.129999999999995 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 130' ' ' LEU . 54.0 t -69.95 -44.84 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 65.129999999999995 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 19' ' ' THR . 19.4 ptt180 -71.12 -25.9 62.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.310000000000002 110.273 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 19' ' ' THR . 9.2 t -64.88 -39.78 94.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 50.520000000000003 109.966 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.7 pp -88.59 -33.65 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.310000000000002 109.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.91 ' N ' HD12 ' A' ' 17' ' ' LEU . 1.5 tp -62.09 -34.59 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 64.409999999999997 109.324 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 15' ' ' ARG . 1.6 p -58.73 -15.48 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 60.219999999999999 110.393 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 109.308 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.865 ' CH2' HG11 ' A' ' 38' ' ' VAL . 1.5 t90 -48.87 131.36 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 62.350000000000001 107.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.3 -1.54 53.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 75.120000000000005 109.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.67 -26.25 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 52.409999999999997 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' CE3' ' A' ' 21' ' ' TRP . 12.7 t -59.2 131.84 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 71.319999999999993 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -111.05 -28.79 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 53.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 148.03 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 72.319999999999993 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 36' ' ' LEU . 2.5 mm -139.78 113.21 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.099999999999994 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.868 ' O ' HD23 ' A' ' 34' ' ' LEU . 47.8 tt0 -141.43 156.08 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.049999999999997 110.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.23 161.93 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 71.25 109.282 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' C ' ' A' ' 33' ' ' GLY . 1.6 m -135.6 176.42 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.450000000000003 109.318 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.8 tt0 -72.39 93.27 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 110.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER 79.88 45.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 71.219999999999999 109.286 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.503 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 173.51 -168.81 41.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 111.004 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -153.9 149.29 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 71.430000000000007 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -130.04 112.83 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 72.400000000000006 110.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.765 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -118.72 146.88 44.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -104.35 95.04 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 64.510000000000005 109.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.865 HG11 ' CH2' ' A' ' 21' ' ' TRP . 11.1 t -82.52 148.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 44' ' ' THR . 1.9 mmt-85 -113.25 87.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 55.219999999999999 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 27.1 mt -63.39 -39.38 94.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -142.39 159.08 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 109.307 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -61.08 -13.97 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 62.219999999999999 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.07 13.49 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.430000000000007 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 66' ' ' TRP . 90.7 m -128.21 153.64 46.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 70.140000000000001 110.415 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 38' ' ' VAL . 1.4 tm? -137.67 132.36 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.838 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -119.16 104.68 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 51.100000000000001 109.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HB3' ' HE2' ' A' ' 49' ' ' HIS . 2.5 mt-10 -83.83 116.09 22.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 62.43 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 141' ' ' PHE . 5.0 tt -106.94 135.04 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 73.120000000000005 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.536 ' HE2' ' HB3' ' A' ' 47' ' ' GLU . 1.9 m170 -130.16 155.24 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 53.32 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -129.75 130.47 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 109.351 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 p90 -144.79 131.87 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.25 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 44.9 t80 -70.21 146.07 50.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.789 ' OD2' HG23 ' A' ' 55' ' ' VAL . 39.4 t0 -126.69 110.54 13.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 72.430000000000007 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -71.27 -6.66 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.450000000000003 109.564 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.789 HG23 ' OD2' ' A' ' 53' ' ' ASP . 64.2 t -59.58 -42.57 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 54.32 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.441 ' O ' HG22 ' A' ' 58' ' ' VAL . 44.2 m-85 -122.59 3.98 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 111.027 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 64.04 33.55 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 55.539999999999999 109.583 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 0' ' ' SER . 0.0 OUTLIER -139.57 162.02 53.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 64.439999999999998 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.703 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 163.53 35.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 73.209999999999994 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -129.26 172.93 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 74.200000000000003 109.986 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.805 HD12 ' CD2' ' A' ' 137' ' ' TYR . 38.8 mt -140.24 127.45 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.010000000000005 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.92 128.11 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 71.209999999999994 109.287 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CD1' HD21 ' A' ' 46' ' ' LEU . 40.6 p90 -141.29 164.08 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.966 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -140.78 118.46 11.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 73.319999999999993 110.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.815 HD23 HD23 ' A' ' 46' ' ' LEU . 7.4 mt -64.31 144.67 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 64.439999999999998 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.625 ' O ' HG23 ' A' ' 44' ' ' THR . 95.3 m95 -126.92 158.0 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 61.420000000000002 107.977 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.732 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -128.35 97.7 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 75.510000000000005 109.978 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 125.73 27.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 75.299999999999997 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -121.79 112.84 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 61.439999999999998 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.49 31.99 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 53.020000000000003 110.402 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.07 -43.09 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 62.439999999999998 110.239 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.1 mt-10 -104.38 -14.0 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 74.209999999999994 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.56 50.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 63.210000000000001 109.338 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.828 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.54 -3.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.430000000000007 109.285 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t 73.51 45.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.409999999999997 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.828 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.08 176.46 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.219999999999999 109.973 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 77' ' ' LEU . 4.0 pp -172.2 160.72 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 71.530000000000001 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -155.29 138.65 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 72.209999999999994 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 64' ' ' ARG . 13.8 tp -56.43 132.85 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 74.519999999999996 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 ' HB2' ' A' ' 67' ' ' SER . 26.1 mt -95.27 146.09 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 HG21 ' A' ' 109' ' ' VAL . 1.3 p -139.07 92.28 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 64.439999999999998 110.385 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.893 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -125.66 167.52 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 54.539999999999999 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -60.7 -175.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 53.420000000000002 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -77.34 -34.49 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.120000000000005 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.9 m -56.81 -37.34 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 70.450000000000003 109.998 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.893 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.8 mt-10 -79.94 -45.16 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.239999999999995 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 65' ' ' LEU . 1.7 tp -61.42 -26.73 68.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.23 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 74.310000000000002 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.607 ' HB3' HD13 ' A' ' 90' ' ' ILE . 9.2 t -68.46 -27.27 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 50.420000000000002 109.981 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.71 ' N ' HD13 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -112.44 -44.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 70.239999999999995 109.342 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mt -86.9 171.12 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 73.340000000000003 109.324 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.77 ' O ' HG23 ' A' ' 140' ' ' ILE . 60.2 m-80 -129.2 103.74 7.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 63.130000000000003 109.273 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.91 -58.0 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 63.030000000000001 109.265 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.95 -91.35 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 21.129999999999999 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -116.27 -2.19 12.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 74.540000000000006 110.352 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 140' ' ' ILE . 10.9 m-85 -69.02 -171.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 65.230000000000004 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -146.76 148.86 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 109.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 113' ' ' ILE . 2.9 t -138.59 164.08 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 34.420000000000002 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.506 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -134.75 114.67 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.319999999999993 110.422 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.996 HD11 HG12 ' A' ' 109' ' ' VAL . 3.1 tp -90.44 121.88 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.120000000000005 109.325 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 t -115.13 136.87 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 34.140000000000001 109.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.817 HG23 HG22 ' A' ' 109' ' ' VAL . 2.8 m -138.5 131.67 30.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.299999999999997 110.391 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -75.81 167.35 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 64.230000000000004 109.27 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.4 tpp -59.04 -31.04 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 71.140000000000001 111.023 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 106' ' ' MET . 20.4 tt0 -70.53 -9.59 57.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 71.239999999999995 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 105' ' ' GLU . 19.7 ptm 44.77 22.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 75.420000000000002 111.055 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -100.46 -18.23 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 55.32 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p -123.26 134.58 54.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 70.040000000000006 109.96 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 100' ' ' LEU . 1.9 t -141.34 134.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.581 ' O ' HD12 ' A' ' 100' ' ' LEU . 2.0 m-85 -128.71 153.33 47.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.963 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.839 ' CE1' HD22 ' A' ' 100' ' ' LEU . 47.2 m-85 -115.28 79.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 110.984 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -68.41 108.58 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.310000000000002 110.953 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 98' ' ' VAL . 4.7 mt -68.96 136.06 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 73.439999999999998 109.253 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -55.72 110.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 50.509999999999998 109.339 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 7.4 p-10 -140.21 43.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 71.219999999999999 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.99 -55.57 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 71.329999999999998 108.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -96.98 46.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 51.450000000000003 109.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.681 HG22 ' OH ' ' A' ' 129' ' ' TYR . 0.9 OUTLIER -67.81 -44.84 76.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 62.32 110.41 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -29.83 49.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 75.409999999999997 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.51 -23.8 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 54.329999999999998 109.323 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -79.25 -69.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 74.519999999999996 109.291 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 1.008 HG22 HD13 ' A' ' 136' ' ' LEU . 2.9 t -77.38 -65.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.261 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.28 -23.11 16.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 54.100000000000001 110.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.6 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 11.2 t -38.23 139.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 51.210000000000001 110.007 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.81 161.04 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.319999999999993 109.335 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.716 HG23 HD13 ' A' ' 2' ' ' LEU . 2.0 p -67.76 -9.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -53.55 -67.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 72.049999999999997 110.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.408 ' O ' ' OG1' ' A' ' 131' ' ' THR . 20.1 m-70 -124.38 48.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 53.210000000000001 109.564 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.681 ' OH ' HG22 ' A' ' 118' ' ' THR . 6.0 t80 -77.71 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 64.5 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.915 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.5 mm? -38.09 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 75.109999999999999 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' TYR . 25.8 p -81.91 -50.28 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 110.384 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.8 tpt85 -67.66 -54.81 16.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.66 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 58.1 t90 -40.82 -64.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.994 -1.113 . . . . 65.129999999999995 107.994 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' ILE . 6.3 tp -53.97 -51.74 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 70.349999999999994 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 134' ' ' ILE . 27.7 t -56.04 -16.57 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 109.991 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.008 HD13 HG22 ' A' ' 122' ' ' VAL . 2.6 tt -96.52 -31.53 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.540000000000006 109.277 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.805 ' CD2' HD12 ' A' ' 61' ' ' ILE . 13.3 m-85 -94.17 -1.87 53.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 75.329999999999998 111.028 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 145' ' ' PHE . 4.7 tp -86.97 -19.72 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 63.530000000000001 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -74.41 -5.65 43.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 73.030000000000001 110.294 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.77 HG23 ' O ' ' A' ' 92' ' ' ASN . 13.6 mt -93.55 -9.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 73.510000000000005 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 48' ' ' LEU . 87.7 m-85 -118.58 -34.05 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 53.439999999999998 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -148.21 119.65 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.329999999999998 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 92' ' ' ASN . 3.6 mt -96.84 2.72 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.319999999999993 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.86 -11.27 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.3 OUTLIER -108.39 107.09 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.230000000000004 111.008 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.81 102.12 54.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 71.310000000000002 109.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.572 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.468 1.772 . . . . 72.530000000000001 110.957 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.452 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.988 -0.375 . . . . 61.119999999999997 109.988 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -6.61 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 70.200000000000003 111.008 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 7' ' ' TYR . 6.9 tp -50.81 100.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.530000000000001 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.51 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 73.9 p -73.8 -167.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.319999999999993 110.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.4 tm? -76.34 -45.45 3.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 74.219999999999999 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.01 -10.77 21.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 72.519999999999996 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.7 mm-40 -88.41 -35.06 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.758 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.84 -20.89 24.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 71.510000000000005 111.007 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -17.06 54.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.25 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.61 -22.81 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 18.6 mt-30 -114.82 12.96 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 62.520000000000003 110.295 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.96 -44.11 99.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 64.340000000000003 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.94 0.07 9.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 64.329999999999998 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.87 -37.06 11.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 65.019999999999996 109.295 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 130' ' ' LEU . 55.6 t -68.96 -55.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 61.310000000000002 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.817 ' O ' HG23 ' A' ' 19' ' ' THR . 5.2 ptt85 -57.59 -30.05 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -58.43 -52.64 64.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 75.239999999999995 109.978 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.974 HD13 ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -78.83 -23.69 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 71.439999999999998 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 18' ' ' LEU . 6.3 tp -60.66 -27.57 67.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 71.140000000000001 109.259 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.7 p -62.28 -23.28 66.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.099999999999994 110.427 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.25 -14.91 62.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.583 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -68.67 115.86 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 64.450000000000003 107.996 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.65 -13.64 44.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 55.25 109.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -82.78 -22.68 34.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 73.129999999999995 109.287 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 38' ' ' VAL . 20.3 t -73.45 118.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.219999999999999 109.262 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -91.73 -27.61 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 71.510000000000005 110.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.76 132.21 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 70.420000000000002 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.4 mm -112.14 103.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 72.409999999999997 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 28.6 tt0 -122.4 151.4 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 110.307 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -119.75 157.71 28.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 61.240000000000002 109.302 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG22 ' N ' ' A' ' 34' ' ' LEU . 15.9 m -122.36 174.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 71.25 109.28 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.92 28.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 110.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -169.12 33.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.430000000000007 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 142.6 -119.19 1.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 52.039999999999999 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -162.26 172.92 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 71.129999999999995 109.325 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.773 ' C ' HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -157.07 106.56 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 52.039999999999999 110.339 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.45 171.84 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 43.439999999999998 109.255 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -129.31 95.34 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 70.219999999999999 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 24' ' ' VAL . 2.2 t -88.13 141.33 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 2.8 mmt-85 -97.42 78.08 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.043 HD13 HD12 ' A' ' 90' ' ' ILE . 12.9 mt -51.74 -31.34 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.120000000000005 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.6 ttmt -157.98 159.56 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 70.109999999999999 109.277 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.39 -14.78 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 75.400000000000006 110.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.05 17.96 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.448 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 12.5 m -135.93 134.23 38.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.439999999999998 110.4 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.017 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -124.66 125.73 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.017 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -111.87 116.38 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 71.239999999999995 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.709 ' OE2' HD21 ' A' ' 45' ' ' LEU . 2.3 mp0 -100.34 121.58 41.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.5 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.821 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -101.35 127.36 48.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 11.5 m170 -120.4 102.83 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 14.7 tt -85.69 136.21 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 33.1 p90 -152.66 172.65 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 1.8 t80 -109.8 141.19 42.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 111.019 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.64 123.17 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 70.299999999999997 109.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.18 3.81 47.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 62.030000000000001 109.581 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.938 HG13 ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -101.16 -31.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 74.219999999999999 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.938 ' CD2' HG13 ' A' ' 55' ' ' VAL . 55.8 m-85 -116.92 -13.51 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.442 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 11.6 m-70 60.61 53.13 4.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 73.400000000000006 109.594 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 0' ' ' SER . 0.0 OUTLIER -153.4 164.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 65.310000000000002 109.258 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.613 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -75.02 148.2 34.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 54.140000000000001 111.009 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 m -133.19 174.23 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 53.420000000000002 109.963 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 9.7 mt -135.98 131.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.120000000000005 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 11.3 ttpt -143.29 118.58 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 75.420000000000002 109.257 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 91' ' ' LEU . 54.0 p90 -138.24 159.99 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.991 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.953 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -132.14 133.54 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 110.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.0 mt -72.07 141.93 49.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 72.349999999999994 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' A' ' 77' ' ' LEU . 95.2 m95 -127.54 153.7 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 72.129999999999995 107.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.656 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -125.88 97.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -69.08 124.93 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.209999999999994 109.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.63 114.02 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.39 34.65 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 61.43 110.391 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -36.04 67.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 110.328 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.661 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.09 -1.94 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 54.549999999999997 110.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.56 48.27 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.89 -6.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.510000000000005 109.297 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.7 t 78.45 50.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.709 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -87.02 177.81 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 40.240000000000002 110.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.622 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.07 162.85 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 74.010000000000005 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.68 131.92 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 75.120000000000005 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 64' ' ' ARG . 7.5 tp -51.16 136.88 23.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 72.420000000000002 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.9 mt -100.76 154.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.329999999999998 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -143.43 88.39 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 62.5 110.374 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -121.96 167.14 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 74.150000000000006 109.258 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -66.68 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 74.25 109.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -21.3 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 60.43 109.314 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.5 m -64.47 -32.93 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.98 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.819 ' HB2' HD13 ' A' ' 82' ' ' LEU . 5.3 mt-10 -89.02 -46.99 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 110.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 87' ' ' LEU . 2.6 tt -55.7 -50.89 69.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.030000000000001 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.496 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -58.84 -16.19 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 73.25 110.302 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 1.8 t -64.46 -27.32 68.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 71.349999999999994 109.974 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.043 HD12 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -112.67 -33.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 54.049999999999997 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 63' ' ' PHE . 11.9 mt -94.22 173.26 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 72.430000000000007 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.838 ' O ' HG23 ' A' ' 140' ' ' ILE . 63.5 m-80 -135.06 105.0 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 64.140000000000001 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.608 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.87 -57.99 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.219999999999999 109.361 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 53.41 -88.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 111.021 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.2 t -106.52 20.32 19.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 61.130000000000003 110.41 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.74 162.7 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.209999999999994 111.03 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.452 ' HB2' ' ND2' ' A' ' 114' ' ' ASN . 3.4 m -129.16 158.88 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 64.340000000000003 109.99 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 99' ' ' THR . 7.4 p -138.91 169.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 98' ' ' VAL . 2.3 m -143.05 117.01 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 51.119999999999997 110.383 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.023 HD12 ' O ' ' A' ' 110' ' ' TYR . 22.0 tp -97.5 120.98 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 70.25 109.257 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.696 ' O ' HG13 ' A' ' 109' ' ' VAL . 5.3 t -114.79 158.72 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 74.450000000000003 109.949 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.987 HG23 HG22 ' A' ' 109' ' ' VAL . 4.3 m -131.92 146.72 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.140000000000001 110.381 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 169.88 15.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 64.450000000000003 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -62.79 -17.09 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.439999999999998 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -89.24 -13.24 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 73.400000000000006 110.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.61 ' HA ' HG22 ' A' ' 102' ' ' THR . 36.8 mtp 50.36 25.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.030000000000001 110.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -16.79 14.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 44.25 109.322 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -128.77 139.46 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 75.349999999999994 109.976 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.987 HG22 HG23 ' A' ' 102' ' ' THR . 3.0 t -143.46 136.42 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 71.349999999999994 109.285 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 1.023 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.6 m-85 -119.97 157.96 27.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 74.340000000000003 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.897 ' CD1' HD13 ' A' ' 100' ' ' LEU . 44.2 m-85 -110.98 77.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.409999999999997 111.046 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 75.3 m-85 -65.85 113.25 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.219999999999999 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.439 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.4 mt -70.84 141.96 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 97' ' ' SER . 3.2 m-20 -58.68 111.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.2 t30 -136.53 35.9 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 41.210000000000001 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.95 -55.5 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 51.5 108.288 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -133.54 93.77 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 72.140000000000001 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.49 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -83.17 -42.55 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 73.109999999999999 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.17 -31.7 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.32 -13.59 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.109999999999999 109.329 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -94.56 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.010000000000005 109.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.564 HG13 ' N ' ' A' ' 123' ' ' GLY . 12.1 p -79.88 -55.12 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.420000000000002 109.271 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.564 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 76.19 -5.65 40.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.0 m -38.24 142.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 73.349999999999994 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.22 157.4 16.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 62.009999999999998 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.53 -11.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 53.229999999999997 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 78.0 mt-10 -63.04 -68.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 54.340000000000003 110.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 46.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.150000000000006 109.617 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.612 ' HD2' HD22 ' A' ' 2' ' ' LEU . 4.1 t80 -75.72 -41.07 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.857 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.2 mm? -70.46 -18.32 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 72.439999999999998 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.7 p -90.32 -47.74 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 61.140000000000001 110.39 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.84 -45.55 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 75.099999999999994 110.332 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 79.0 t90 -52.42 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 71.329999999999998 108.032 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.62 HG12 HG13 ' A' ' 14' ' ' VAL . 5.7 tp -53.94 -55.81 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 75.530000000000001 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.539 ' N ' HG23 ' A' ' 134' ' ' ILE . 17.8 t -57.07 -15.27 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 41.43 110.051 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -94.03 -33.51 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.271 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 12.1 m-85 -94.6 -3.09 50.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 75.150000000000006 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 145' ' ' PHE . 4.7 tp -81.68 -20.34 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 72.549999999999997 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -76.87 -5.82 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 110.304 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 92' ' ' ASN . 19.0 mt -92.99 -10.19 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 63.399999999999999 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.821 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 84.5 m-85 -119.39 -33.33 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 51.340000000000003 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 49.7 t0 -147.63 112.24 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 63.109999999999999 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 92' ' ' ASN . 1.3 mt -86.05 3.03 44.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 73.040000000000006 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -111.38 -15.04 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.299999999999997 109.322 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 138' ' ' ILE . 25.6 t80 -71.89 111.02 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 72.540000000000006 111.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.31 112.35 59.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 61.109999999999999 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.974 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 71.329999999999998 110.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.972 -0.381 . . . . 42.409999999999997 109.972 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt -132.87 6.48 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 73.200000000000003 110.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 7' ' ' TYR . 13.3 tp -50.76 110.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 64.3 p -78.86 -171.19 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 71.099999999999994 110.44 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -75.5 -45.7 4.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 71.420000000000002 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -7.32 19.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.558 1.82 . . . . 71.430000000000007 110.962 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB3' HD12 ' A' ' 2' ' ' LEU . 4.2 mm-40 -88.3 -41.26 13.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 62.530000000000001 110.312 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.845 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.6 -35.84 22.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 63.450000000000003 111.043 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.579 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -66.06 -23.78 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 74.049999999999997 109.341 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -68.92 -25.2 64.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 70.319999999999993 110.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.448 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 3.7 mt-30 -114.37 15.24 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.845 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -63.92 -46.42 81.23 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 109.3 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.96 -0.04 9.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 73.420000000000002 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.3 m-20 -89.48 -33.93 16.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.692 HG12 HD23 ' A' ' 18' ' ' LEU . 72.8 t -73.52 -44.13 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 51.219999999999999 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HD2' HD21 ' A' ' 34' ' ' LEU . 4.0 ptm180 -68.47 -19.11 64.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 64.430000000000007 110.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 t -77.25 -42.98 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 52.240000000000002 110.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.04 HD21 HG21 ' A' ' 134' ' ' ILE . 2.3 pp -78.61 -25.59 45.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.692 HD23 HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -58.18 -19.33 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.409999999999997 109.328 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 p -64.78 -11.26 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 54.329999999999998 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -85.05 -19.25 32.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 70.299999999999997 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.698 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.5 t90 -70.46 119.0 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 75.329999999999998 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.47 -1.85 58.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 53.210000000000001 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 2.4 mtpp -93.51 -26.35 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 70.120000000000005 109.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.585 HG23 ' CE3' ' A' ' 21' ' ' TRP . 26.2 t -65.24 129.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 61.409999999999997 109.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -112.81 -20.91 11.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.329999999999998 110.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 11.5 ttt-85 -133.6 151.21 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 74.409999999999997 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -139.27 111.53 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.299999999999997 109.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 47.6 tt0 -146.75 153.5 40.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 72.129999999999995 110.29 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.621 ' HA ' HD23 ' A' ' 34' ' ' LEU . 6.2 t70 -112.26 166.16 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 73.109999999999999 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.8 m -138.15 -178.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 63.530000000000001 109.303 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 25.2 tt0 -78.95 93.91 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 44.32 110.344 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 81.42 43.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 65.040000000000006 109.313 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 170.68 -170.07 42.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 41.310000000000002 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -148.12 146.01 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 55.009999999999998 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.01 117.61 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 110.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.816 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -125.12 149.51 47.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 73.140000000000001 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 69.8 m-20 -101.91 95.15 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 73.120000000000005 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.69 HG12 HD12 ' A' ' 40' ' ' LEU . 21.8 t -78.2 111.82 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.516 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -85.17 88.82 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 75.030000000000001 110.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' ' 46' ' ' LEU . 11.2 mp -69.72 -50.16 46.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 74.519999999999996 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 18.7 ttmt -133.81 153.52 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 62.240000000000002 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -61.0 -14.95 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 51.140000000000001 110.421 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' LEU . 76.3 m-20 -122.44 15.9 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 66' ' ' TRP . 53.3 m -139.4 149.59 44.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.4 tm? -140.16 136.01 33.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 75.340000000000003 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 65' ' ' LEU . 2.3 tm? -126.04 102.06 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.672 ' HG3' HD11 ' A' ' 45' ' ' LEU . 18.0 mt-10 -79.73 121.85 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 32.43 110.327 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.8 tt -108.96 140.66 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -135.22 107.25 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 60.43 109.563 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 5.9 tt -85.33 127.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 61.030000000000001 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 6.4 p90 -142.76 136.57 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 54.210000000000001 111.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CE2' ' O ' ' A' ' 3' ' ' THR . 3.9 t80 -82.89 144.47 30.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 72.209999999999994 110.981 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.737 ' OD2' HG23 ' A' ' 55' ' ' VAL . 38.2 t0 -120.24 123.82 44.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 75.120000000000005 109.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.736 ' NE2' HD23 ' A' ' 4' ' ' LEU . 1.8 m80 -79.44 1.38 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 61.420000000000002 109.571 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.737 HG23 ' OD2' ' A' ' 53' ' ' ASP . 85.1 t -66.84 -45.96 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 74.099999999999994 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.428 ' C ' HG22 ' A' ' 58' ' ' VAL . 53.2 m-85 -122.08 8.72 9.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.129999999999995 111.004 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 56.98 46.35 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 61.43 109.599 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG22 ' C ' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -149.31 163.29 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.230000000000004 109.257 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -75.03 160.01 40.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 73.129999999999995 111.026 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 67.2 m -126.73 -177.51 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 65.5 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.852 HD11 ' HB2' ' A' ' 137' ' ' TYR . 10.8 mt -138.03 135.61 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.019999999999996 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -155.72 115.98 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 62.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.723 ' CD1' HD21 ' A' ' 46' ' ' LEU . 11.4 p90 -141.88 171.09 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.450000000000003 111.014 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.625 ' O ' HD22 ' A' ' 46' ' ' LEU . 9.2 mtp180 -137.47 144.39 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.530000000000001 110.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.013 HD11 HD13 ' A' ' 87' ' ' LEU . 85.6 mt -87.94 148.17 24.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 73.420000000000002 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.583 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 88.1 m95 -140.39 162.47 35.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.5 107.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.723 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -133.3 97.91 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.120000000000005 110.007 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.03 124.2 22.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 61.43 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.09 110.94 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 43.140000000000001 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.32 31.21 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 54.32 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -43.17 -42.22 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 73.430000000000007 110.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' HB2' HG23 ' A' ' 74' ' ' ILE . 3.7 mt-10 -105.88 -13.65 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 73.230000000000004 110.362 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.85 50.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -111.87 -7.97 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.209999999999994 109.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.9 t 78.04 38.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 71.310000000000002 109.992 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -75.29 175.14 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 110.005 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.6 pp -167.25 162.66 15.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 109.305 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' SER . 20.0 ttp-105 -154.12 135.5 14.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 72.530000000000001 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.948 HD12 ' O ' ' A' ' 65' ' ' LEU . 16.0 tp -53.74 132.53 41.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.400000000000006 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 67' ' ' SER . 32.6 mt -99.94 162.62 12.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -156.52 116.91 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 72.219999999999999 110.394 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -145.45 167.14 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -62.72 -168.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 71.310000000000002 109.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.07 -52.64 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t -62.37 -31.83 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 63.020000000000003 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 2.3 mm-40 -68.37 -30.08 68.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 62.32 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.013 HD13 HD11 ' A' ' 65' ' ' LEU . 7.4 tp -87.9 -31.71 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.299999999999997 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -23.65 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 72.120000000000005 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -54.18 -19.72 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 65.200000000000003 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.27 -43.77 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.010000000000005 109.337 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.87 HD12 HD21 ' A' ' 87' ' ' LEU . 10.4 mt -80.66 -179.84 7.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 53.210000000000001 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.705 ' CG ' HD12 ' A' ' 143' ' ' LEU . 67.5 m-80 -142.61 100.01 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 44.340000000000003 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.629 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.93 -58.18 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 64.420000000000002 109.291 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.28 -88.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 63.340000000000003 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -112.66 -10.3 13.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 75.329999999999998 110.387 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -71.49 -171.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 70.099999999999994 110.953 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.6 m -151.67 158.28 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.420000000000002 110.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 99' ' ' THR . 2.7 p -142.61 164.46 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 73.409999999999997 109.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.485 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -130.29 117.28 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 73.450000000000003 110.404 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.88 HD12 ' CE1' ' A' ' 111' ' ' TYR . 4.1 tt -102.27 125.83 49.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 62.240000000000002 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.688 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 t -121.76 135.56 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.965 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.056 HG23 HG22 ' A' ' 109' ' ' VAL . 41.0 m -128.01 142.24 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 73.140000000000001 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -80.98 162.08 24.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.409999999999997 109.255 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.0 ttp -59.6 -28.73 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 74.439999999999998 111.052 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.96 -9.93 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 52.25 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt 54.46 27.29 8.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 52.420000000000002 111.01 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.457 ' CE ' ' OG ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -108.3 -20.2 13.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 74.450000000000003 109.266 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.457 ' OG ' ' CE ' ' A' ' 107' ' ' LYS . 3.6 m -118.66 118.52 31.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 45.140000000000001 110.002 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.056 HG22 HG23 ' A' ' 102' ' ' THR . 2.3 t -144.59 141.96 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.540000000000006 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -139.31 -178.21 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.209999999999994 111.015 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.88 ' CE1' HD12 ' A' ' 100' ' ' LEU . 20.1 m-85 -137.91 81.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 26.9 m-85 -77.77 97.38 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 71.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.658 HD12 HG21 ' A' ' 61' ' ' ILE . 27.6 mt -58.67 153.85 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 61.119999999999997 109.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.39 106.07 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.25 109.314 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -128.79 17.51 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -61.27 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.109999999999999 108.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.56 57.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 73.329999999999998 109.287 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -83.18 -6.02 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.200000000000003 110.392 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.56 -39.65 73.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.093 . . . . 72.030000000000001 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.6 -11.11 49.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.232 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -66.89 -69.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 72.340000000000003 109.315 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.906 HG22 HD13 ' A' ' 136' ' ' LEU . 1.9 t -97.36 -65.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 62.119999999999997 109.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 36.79 31.9 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 44.229999999999997 111.054 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' VAL . 88.8 p -83.61 -75.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 71.319999999999993 110.031 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.404 ' N ' ' OG ' ' A' ' 124' ' ' SER . 1.1 t0 -153.26 133.48 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 75.140000000000001 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.721 HG13 ' CD1' ' A' ' 2' ' ' LEU . 82.8 t -63.76 -15.96 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 62.43 109.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.19 -67.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 62.229999999999997 110.283 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.05 46.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 109.607 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 4.0 t80 -78.14 -40.38 38.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 73.219999999999999 111.021 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.4 mm? -68.91 -22.58 64.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 81.9 p -89.92 -32.54 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 60.409999999999997 110.405 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.443 ' HG3' HG13 ' A' ' 122' ' ' VAL . 29.4 tpt85 -90.12 -16.4 29.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 71.030000000000001 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.522 ' CE2' ' HG2' ' A' ' 59' ' ' PRO . 61.3 t90 -85.83 -43.65 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 73.019999999999996 108.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 1.04 HG21 HD21 ' A' ' 17' ' ' LEU . 6.6 tp -55.27 -48.42 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 74.129999999999995 109.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.552 ' HA ' HG22 ' A' ' 138' ' ' ILE . 0.5 OUTLIER -75.44 -0.84 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.906 HD13 HG22 ' A' ' 122' ' ' VAL . 6.9 tt -99.64 -38.62 8.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 71.099999999999994 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.852 ' HB2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -92.87 -43.0 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 111.012 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.698 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 7.1 tp -53.93 -20.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 61.020000000000003 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 135' ' ' SER . 14.4 mtp180 -64.34 -8.23 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.150000000000006 110.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 137' ' ' TYR . 1.2 mm -85.13 -10.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 62.509999999999998 109.342 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 141' ' ' PHE . 2.9 m-85 -122.27 -38.13 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 111.005 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.417 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 5.7 t0 -134.74 114.99 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 74.5 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.705 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.0 mt -97.86 3.18 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 44.32 109.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -113.65 -11.29 12.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -71.43 112.16 7.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 74.420000000000002 111.017 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.74 106.37 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.965 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 65.200000000000003 111.027 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.464 ' CB ' ' CG1' ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.036 -0.357 . . . . 72.120000000000005 110.036 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm -130.8 4.58 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 75.030000000000001 111.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.758 HD13 HG13 ' A' ' 126' ' ' VAL . 13.7 tp -63.36 104.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 71.400000000000006 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 80.8 p -73.67 -170.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.409999999999997 110.429 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -75.91 -45.39 3.94 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 73.120000000000005 109.275 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -11.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 75.430000000000007 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 80.2 mt-10 -87.85 -33.44 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 74.400000000000006 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.798 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.49 -23.32 23.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.519999999999996 111.029 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -75.43 -16.89 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.278 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.83 -22.83 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 73.150000000000006 110.333 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 30.3 mt-30 -116.33 14.28 15.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 74.420000000000002 110.255 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.766 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -61.15 -45.39 95.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 71.450000000000003 109.285 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.95 -0.2 9.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 51.140000000000001 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 7.6 m-20 -93.78 -33.03 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.897 ' CG1' HD13 ' A' ' 134' ' ' ILE . 69.7 t -78.43 -44.57 26.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 72.109999999999999 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 13.0 ptt85 -66.02 -19.23 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 73.530000000000001 110.32 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 19' ' ' THR . 12.7 t -74.32 -56.96 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 50.229999999999997 109.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.965 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.6 pp -66.69 -22.67 66.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 71.129999999999995 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.751 HD12 HD22 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -58.57 -22.32 55.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.010000000000005 109.292 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 16' ' ' SER . 61.9 p -66.84 -8.51 29.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.44 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 13.6 mtpp -81.62 -18.68 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 70.299999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -75.58 118.64 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 108.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.5 -18.66 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 50.32 109.266 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -74.02 -17.41 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 38' ' ' VAL . 25.0 t -80.89 117.43 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.22 -30.09 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 63.399999999999999 110.279 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.13 135.99 49.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.530000000000001 110.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.436 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.7 mm -119.62 107.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 65.129999999999995 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 31.2 tt0 -128.07 147.95 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 61.039999999999999 110.318 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 142.96 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 52.32 109.292 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 34' ' ' LEU . 16.8 m -111.14 171.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 72.230000000000004 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.51 36.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 60.130000000000003 110.263 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 178.66 39.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.806 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 142.81 -125.43 2.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 65.239999999999995 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -168.69 151.27 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 63.130000000000003 109.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -130.56 108.02 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 110.304 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -109.68 170.89 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 62.119999999999997 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.636 ' OD1' HD21 ' A' ' 45' ' ' LEU . 8.7 t70 -128.4 95.53 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 72.019999999999996 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.657 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 2.3 t -92.25 136.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.567 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -95.31 79.21 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.298 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.976 ' CD1' HD12 ' A' ' 90' ' ' ILE . 9.6 mt -53.46 -35.37 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 64.439999999999998 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 11.1 ttmt -149.08 158.23 44.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.329999999999998 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -58.05 -16.33 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 110.396 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.73 25.06 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.420000000000002 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 17.4 m -140.54 133.67 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 43.009999999999998 110.43 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.988 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -119.22 125.15 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.439999999999998 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.988 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.1 tm? -102.82 97.4 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 70.420000000000002 109.336 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -74.24 100.61 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.349999999999994 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.668 HD12 HD13 ' A' ' 36' ' ' LEU . 2.3 tm? -93.68 123.31 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 62.420000000000002 109.306 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.56 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -128.29 117.73 21.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.230000000000004 109.628 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.531 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.9 tt -89.89 144.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 4.7 p90 -160.35 150.99 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 74.519999999999996 111.006 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -104.75 156.97 17.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 110.985 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 4.7 t0 -117.26 131.29 56.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.530000000000001 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CD2' ' HE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.18 3.54 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.329999999999998 109.606 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.5 t -100.26 -26.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.510000000000005 109.285 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' O ' HG22 ' A' ' 58' ' ' VAL . 51.4 m-85 -110.45 -15.54 13.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 70.040000000000006 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 60.84 40.93 15.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 63.43 109.581 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.695 HG11 HG22 ' A' ' 118' ' ' THR . 0.0 OUTLIER -151.89 164.19 21.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 61.119999999999997 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.545 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 23.1 t -142.62 -179.95 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 109.961 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.964 HD12 ' CD2' ' A' ' 137' ' ' TYR . 68.3 mt -148.7 143.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 64.129999999999995 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -152.01 136.54 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 109.309 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.701 ' CD2' HD21 ' A' ' 46' ' ' LEU . 55.7 p90 -152.42 165.86 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 72.530000000000001 111.02 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.617 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -143.09 112.86 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 63.329999999999998 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 79' ' ' LEU . 75.2 mt -48.03 149.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 43.340000000000003 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.679 ' CE3' HD13 ' A' ' 77' ' ' LEU . 98.5 m95 -136.01 151.73 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 73.439999999999998 107.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.576 ' HB2' HD11 ' A' ' 80' ' ' LEU . 29.5 t -122.68 96.92 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 64.010000000000005 110.033 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -65.82 123.67 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 64.230000000000004 109.296 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.53 113.12 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 109.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.49 36.76 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 63.539999999999999 110.39 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.44 -40.08 64.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 71.310000000000002 110.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.62 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.28 -2.46 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 74.400000000000006 110.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.85 49.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 72.219999999999999 109.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.4 -9.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 45.420000000000002 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.87 42.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 74.409999999999997 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.788 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -80.56 175.54 10.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 110.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.6 pp -164.42 169.04 17.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.84 126.42 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.439999999999998 110.306 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 5.8 tp -60.34 125.04 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 63.25 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.2 mt -95.15 162.62 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 65.439999999999998 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.422 HG23 HG11 ' A' ' 109' ' ' VAL . 2.3 m -152.19 86.19 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 74.450000000000003 110.466 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.827 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -114.26 167.54 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 74.310000000000002 109.321 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 m -61.93 -170.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.006 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.84 -23.36 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 109.256 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -64.0 -33.54 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 64.409999999999997 109.986 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.827 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.0 mt-10 -89.81 -41.22 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.120000000000005 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.87 -40.14 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 52.130000000000003 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -66.22 -25.8 67.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 73.120000000000005 110.274 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -50.75 -21.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 43.43 110.005 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.976 HD12 ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 -41.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.120000000000005 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 16.0 mt -82.49 -179.59 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 72.540000000000006 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.579 ' CG ' HD12 ' A' ' 143' ' ' LEU . 70.3 m-80 -139.8 103.09 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.230000000000004 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.55 -58.17 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 71.409999999999997 109.333 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.31 -81.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 65.230000000000004 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.9 t -112.91 -21.32 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 74.299999999999997 110.383 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.42 -171.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.985 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 m -152.18 165.67 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.310000000000002 110.001 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 99' ' ' THR . 5.9 p -140.88 167.96 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.25 109.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -137.04 110.33 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 52.030000000000001 110.419 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.877 HD21 ' CG1' ' A' ' 109' ' ' VAL . 3.7 tt -91.26 129.18 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.806 ' N ' HD23 ' A' ' 100' ' ' LEU . 16.8 t -122.6 149.75 43.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 62.25 110.003 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.662 ' OG1' HG13 ' A' ' 109' ' ' VAL . 1.5 m -147.31 162.51 38.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 73.549999999999997 110.349 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.23 169.13 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 71.129999999999995 109.279 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.9 ttp -56.39 -39.61 73.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 73.120000000000005 110.951 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.86 -20.02 7.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 64.209999999999994 110.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.5 mtt 57.02 19.23 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.109999999999999 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -38.76 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 62.219999999999999 109.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -94.78 141.77 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 71.129999999999995 110.04 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.877 ' CG1' HD21 ' A' ' 100' ' ' LEU . 13.0 t -148.55 167.33 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 72.319999999999993 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 109' ' ' VAL . 2.3 m-85 -157.93 166.04 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 73.010000000000005 110.993 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.868 ' CE1' HD12 ' A' ' 100' ' ' LEU . 42.4 m-85 -134.21 79.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 62' ' ' LYS . 96.3 m-85 -75.02 117.77 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 111.038 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.568 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.0 mt -71.07 136.44 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 63.149999999999999 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -56.53 111.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.230000000000004 109.288 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.497 ' CB ' ' OH ' ' A' ' 137' ' ' TYR . 4.7 p-10 -139.22 18.32 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 62.310000000000002 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.5 p -52.81 -46.86 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 61.030000000000001 108.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.86 89.3 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.307 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.695 HG22 HG11 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -81.5 -32.12 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 74.519999999999996 110.394 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -61.85 -26.45 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.349 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.46 -12.07 47.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 55.130000000000003 109.281 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -88.49 -68.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 75.400000000000006 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.818 ' HB ' HD22 ' A' ' 136' ' ' LEU . 7.4 p -99.62 -53.7 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 64.510000000000005 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.551 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 36.23 40.01 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 24.329999999999998 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.4 m -73.84 -80.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 73.129999999999995 110.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -161.57 147.01 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 72.310000000000002 109.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.758 HG13 HD13 ' A' ' 2' ' ' LEU . 18.7 t -67.7 -12.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 61.439999999999998 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.406 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 38.5 mt-10 -59.12 -67.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 70.310000000000002 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.83 46.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.099999999999994 109.592 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 122' ' ' VAL . 4.1 t80 -71.46 -37.81 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 64.319999999999993 111.047 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.798 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.2 mm? -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 70.540000000000006 109.32 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -88.12 -36.8 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.299999999999997 110.401 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -82.49 -16.2 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 71.209999999999994 110.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.61 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 75.4 t90 -87.11 -45.95 10.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 74.329999999999998 107.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.897 HD13 ' CG1' ' A' ' 14' ' ' VAL . 5.6 tp -56.39 -49.75 75.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 73.230000000000004 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 30.7 t -67.12 -4.39 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 54.329999999999998 109.945 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.818 HD22 ' HB ' ' A' ' 122' ' ' VAL . 1.4 tp -93.46 -54.47 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 72.340000000000003 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.964 ' CD2' HD12 ' A' ' 61' ' ' ILE . 9.7 m-85 -78.92 -46.46 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 134' ' ' ILE . 5.4 tp -49.36 -28.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 74.329999999999998 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 135' ' ' SER . 27.0 mtp180 -58.32 -36.91 74.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASN . 42.0 mt -64.49 -10.26 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 55.140000000000001 109.341 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.59 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.0 m-85 -113.73 -31.73 6.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 111.021 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.562 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.49 110.28 4.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 35.350000000000001 109.302 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.579 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.9 mt -92.64 3.64 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 71.530000000000001 109.264 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -106.46 -23.56 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 61.32 109.336 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.8 OUTLIER -92.14 109.44 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 110.975 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.2 98.56 51.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 70.409999999999997 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.965 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 64.420000000000002 110.992 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.636 ' H2 ' HG12 ' A' ' 58' ' ' VAL . 90.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.993 -0.373 . . . . 63.210000000000001 109.993 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt -130.81 7.52 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.099999999999994 110.983 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.764 HD11 ' CA ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -55.84 145.3 24.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.513 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 32.4 p -65.91 -177.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 43.340000000000003 110.374 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.768 HD23 ' CD1' ' A' ' 52' ' ' TYR . 1.5 tm? -77.38 -44.07 2.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.099999999999994 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.95 -9.38 20.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 74.200000000000003 111.035 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 27.8 mm-40 -88.67 -36.71 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.510000000000005 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.764 ' CA ' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.33 -30.68 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 110.984 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.564 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 10.9 m-20 -73.17 -15.06 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 54.539999999999999 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -68.94 -23.14 64.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 73.340000000000003 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.74 18.61 15.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.345 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -64.12 -47.41 79.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 64.140000000000001 109.318 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 54.100000000000001 111.002 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.7 m-20 -91.11 -35.85 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 64.150000000000006 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.84 ' CG1' HD13 ' A' ' 134' ' ' ILE . 24.3 t -67.47 -54.83 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.916 ' O ' HG23 ' A' ' 19' ' ' THR . 27.2 ptt85 -64.83 -32.28 73.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -54.14 -42.43 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 71.329999999999998 110.061 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.918 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.5 pp -88.1 -32.66 18.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 74.299999999999997 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.918 ' N ' HD12 ' A' ' 17' ' ' LEU . 8.3 tp -57.2 -18.85 17.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 54.340000000000003 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 15' ' ' ARG . 68.3 p -59.38 -19.6 48.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 44.43 110.397 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -72.74 -24.39 60.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.200000000000003 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.699 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.7 t90 -57.43 126.83 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 107.988 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.99 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.400000000000006 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HB2' HG13 ' A' ' 38' ' ' VAL . 19.7 mtpp -81.13 -24.62 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.349999999999994 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.604 HG23 ' CE3' ' A' ' 21' ' ' TRP . 13.5 t -67.05 113.85 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 65.140000000000001 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.47 -36.76 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 62.32 110.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.09 147.35 49.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 74.019999999999996 110.355 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' CD1' HD23 ' A' ' 36' ' ' LEU . 1.8 mm -132.47 129.75 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' O ' HD23 ' A' ' 34' ' ' LEU . 35.9 tt0 -157.13 139.48 14.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 72.129999999999995 110.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' HA ' HD23 ' A' ' 34' ' ' LEU . 1.4 p-10 -102.82 154.61 19.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -130.43 172.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 62.049999999999997 109.288 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 2.9 pt20 -70.91 95.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 72.209999999999994 110.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER 76.33 52.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 74.519999999999996 109.327 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.1 -164.98 38.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.085 . . . . 62.32 111.029 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -159.03 142.03 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 75.400000000000006 109.317 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.68 113.98 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 72.329999999999998 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.795 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.84 164.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.430000000000007 109.304 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -119.97 95.34 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.304 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' CH2' ' A' ' 21' ' ' TRP . 11.9 t -84.75 126.99 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 63.25 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -90.9 84.79 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 64.329999999999998 110.341 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.846 HD13 ' CB ' ' A' ' 46' ' ' LEU . 7.4 mp -66.62 -40.33 88.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -139.61 154.16 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 62.32 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -59.48 -17.81 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.209999999999994 110.43 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 20.28 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.450000000000003 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 66' ' ' TRP . 18.0 m -137.87 144.71 41.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 70.329999999999998 110.424 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -132.18 136.18 46.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.338 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.846 ' CB ' HD13 ' A' ' 40' ' ' LEU . 2.2 tm? -114.5 102.3 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.150000000000006 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.28 104.09 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 71.049999999999997 110.265 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD12 ' CE2' ' A' ' 141' ' ' PHE . 0.5 OUTLIER -94.98 133.43 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 75.120000000000005 109.295 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.38 106.29 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.633 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 9.4 tt -85.0 135.24 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 109.329 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.589 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 22.2 p90 -150.27 135.31 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 74.019999999999996 111.042 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.768 ' CD1' HD23 ' A' ' 4' ' ' LEU . 40.7 t80 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 111.002 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.51 115.67 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.304 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.47 3.63 24.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 65.340000000000003 109.605 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.1 t -86.49 -40.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.23 -7.27 10.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 52' ' ' TYR . 53.9 m-70 65.64 45.84 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.592 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.636 HG12 ' H2 ' ' A' ' 0' ' ' SER . 0.1 OUTLIER -144.78 157.95 53.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 54.329999999999998 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.4 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.769 . . . . 73.120000000000005 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 51' ' ' TYR . 22.9 t -117.99 170.74 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.519999999999996 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' ' CZ2' ' A' ' 133' ' ' TRP . 13.2 mt -138.55 124.12 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 73.439999999999998 109.274 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -137.99 120.47 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 62.539999999999999 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.689 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 42.3 p90 -130.17 148.01 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.329999999999998 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.6 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 10.4 mtm180 -123.99 118.37 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 110.292 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 79' ' ' LEU . 77.6 mt -63.21 142.56 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 73.540000000000006 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.0 m95 -135.23 151.77 50.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 72.010000000000005 107.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.784 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -123.91 97.6 5.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 53.530000000000001 110.005 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.83 123.08 19.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -120.92 113.5 20.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -108.47 37.73 2.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 110.403 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.25 -42.85 52.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 52.399999999999999 110.276 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.9 mt-10 -102.84 -8.41 20.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.420000000000002 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t70 81.62 43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.738 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -111.76 11.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 64.209999999999994 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.453 ' H ' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER 51.91 40.05 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.010000000000005 109.993 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.674 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -69.51 -178.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 52.520000000000003 109.98 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.49 163.03 6.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 64.310000000000002 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -155.23 130.88 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.140000000000001 110.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.722 HD21 ' HB ' ' A' ' 109' ' ' VAL . 7.3 tp -57.15 126.66 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 67' ' ' SER . 26.3 mt -93.17 145.74 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 75.340000000000003 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 m -135.99 94.72 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 110.404 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.842 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.33 167.18 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 73.310000000000002 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 p -72.83 -172.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 63.299999999999997 109.988 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' GLU . 5.1 t70 -68.92 -53.8 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 72.530000000000001 109.317 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m -38.81 -30.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 73.340000000000003 110.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 82' ' ' LEU . 2.1 mt-10 -89.4 -45.73 9.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 72.129999999999995 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.483 ' CD1' HD11 ' A' ' 65' ' ' LEU . 48.3 tp -58.96 -61.16 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 61.240000000000002 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -49.25 -23.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 62.539999999999999 110.303 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.8 t -51.13 -38.9 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 64.310000000000002 109.995 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.54 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.3 pt -108.03 -34.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 63.450000000000003 109.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.689 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 5.8 mt -77.14 178.82 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 53.200000000000003 109.322 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 140' ' ' ILE . 70.3 m-80 -141.57 91.21 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.510000000000005 109.324 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.636 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -91.74 -57.98 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.25 109.343 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.3 -79.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 55.210000000000001 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.0 t -112.86 -18.44 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 53.119999999999997 110.388 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.34 -171.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.200000000000003 110.96 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.515 ' HB2' ' ND2' ' A' ' 114' ' ' ASN . 1.8 m -149.29 167.23 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 72.140000000000001 110.003 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 99' ' ' THR . 14.4 p -152.49 165.41 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 62.439999999999998 109.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -143.17 130.43 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 73.439999999999998 110.368 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.795 HD11 ' CG1' ' A' ' 109' ' ' VAL . 10.6 tp -91.0 128.67 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 74.010000000000005 109.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.454 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 31.5 t -123.39 150.07 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 73.209999999999994 109.956 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.631 ' OG1' HG13 ' A' ' 109' ' ' VAL . 6.6 m -152.36 155.6 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 73.430000000000007 110.364 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.16 161.36 15.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 74.120000000000005 109.336 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.34 -34.02 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 73.420000000000002 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -23.09 63.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 110.342 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.2 mtp 55.08 22.33 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 55.409999999999997 111.027 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.87 -37.48 11.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 62.229999999999997 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 102' ' ' THR . 12.0 t -115.39 153.22 31.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 72.409999999999997 109.998 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.795 ' CG1' HD11 ' A' ' 100' ' ' LEU . 67.4 t -148.26 158.14 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 71.409999999999997 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 101' ' ' SER . 1.1 p90 -160.49 146.07 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 70.310000000000002 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.788 ' HE1' HD22 ' A' ' 100' ' ' LEU . 74.9 m-85 -102.31 122.54 44.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 75.439999999999998 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.416 ' HE1' ' HH ' ' A' ' 51' ' ' TYR . 16.0 m-85 -100.52 119.97 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 73.040000000000006 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.03 131.5 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 97' ' ' SER . 3.0 m-20 -42.91 113.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.420000000000002 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.3 t30 -142.93 47.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 72.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 80.2 m -71.52 -53.72 12.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 108.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 0.4 OUTLIER -134.05 95.37 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 60.32 109.299 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.406 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . 53.1 m -69.29 -13.43 62.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 71.310000000000002 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.66 -17.76 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 61.329999999999998 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.54 43.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 62.009999999999998 109.297 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.927 ' OD1' HG23 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -95.28 -66.17 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 136' ' ' LEU . 2.8 t -74.03 -66.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.143 . . . . 62.420000000000002 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 34.15 35.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 71.129999999999995 111.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' VAL . 65.4 m -73.97 -80.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 64.109999999999999 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -162.86 130.74 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 53.130000000000003 109.269 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.488 HG13 ' HB2' ' A' ' 2' ' ' LEU . 33.0 t -57.3 -18.11 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.89 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 73.420000000000002 110.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.4 47.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 62.32 109.553 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -73.33 -35.46 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 110.965 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.763 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.5 mm? -68.82 -24.89 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 72.540000000000006 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 p -90.03 -32.69 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 63.140000000000001 110.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CD ' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -87.84 -17.13 32.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 63.200000000000003 110.295 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.64 ' CZ2' ' CD1' ' A' ' 61' ' ' ILE . 79.9 t90 -86.88 -44.29 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.299999999999997 107.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.84 HD13 ' CG1' ' A' ' 14' ' ' VAL . 7.1 tp -58.18 -49.03 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 73.540000000000006 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 2.4 t -72.87 -2.89 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 61.32 109.989 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 122' ' ' VAL . 0.8 OUTLIER -97.83 -39.93 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 63.439999999999998 109.292 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.651 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -91.89 -50.38 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 111.001 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.699 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 7.0 tp -42.57 -28.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 73.439999999999998 109.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 135' ' ' SER . 76.4 mtt-85 -62.05 -46.35 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.109999999999999 110.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.5 mt -50.74 -20.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 63.130000000000003 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.692 ' CE2' HD12 ' A' ' 48' ' ' LEU . 7.5 m-85 -104.03 -34.53 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.450000000000003 111.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 48.2 t0 -148.67 100.38 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.109999999999999 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 139' ' ' ARG . 12.5 mt -82.84 3.16 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 74.099999999999994 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.73 -22.23 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 75.299999999999997 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.455 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 50.2 t80 -80.89 109.54 15.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 110.998 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 103.44 52.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 61.039999999999999 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.74 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 75.230000000000004 110.968 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.713 ' OG ' HG13 ' A' ' 58' ' ' VAL . 53.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.963 -0.384 . . . . 75.230000000000004 109.963 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptp -117.57 -11.98 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 65.030000000000001 110.952 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.886 HD21 ' HB2' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -50.12 101.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.27 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 55.4 p -71.88 -165.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.2 tm? -76.71 -45.72 3.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.96 -9.29 20.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 61.25 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' OE1' HG21 ' A' ' 126' ' ' VAL . 24.9 mt-10 -88.54 -36.0 16.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 110.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.886 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.66 -33.32 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 110.988 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.548 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -67.59 -21.11 65.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 75.25 109.306 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -75.19 -24.09 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.5 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' A' ' 127' ' ' GLU . 35.1 mt-30 -109.46 13.91 23.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 61.100000000000001 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.701 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -62.14 -45.18 90.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 64.450000000000003 109.3 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.99 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 63.420000000000002 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.9 m-20 -91.01 -34.21 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 130' ' ' LEU . 39.0 t -77.07 -51.84 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 54.310000000000002 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -62.97 -18.31 63.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 65.109999999999999 110.294 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 19' ' ' THR . 12.6 t -76.59 -45.38 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 70.239999999999995 109.986 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.878 HD13 ' HB3' ' A' ' 147' ' ' PRO . 1.7 pp -77.6 -25.89 50.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 73.019999999999996 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 HD11 ' A' ' 134' ' ' ILE . 1.8 mm? -57.96 -17.8 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 16' ' ' SER . 81.9 p -63.73 -14.34 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 110.392 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.53 -18.0 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 74.209999999999994 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.641 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.7 t90 -73.94 124.39 26.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 71.150000000000006 108.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.52 -15.7 28.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -79.43 -15.05 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 42.310000000000002 109.303 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 39.2 t -80.52 123.62 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 32.329999999999998 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.95 -22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 70.340000000000003 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.634 ' HD3' HE22 ' A' ' 35' ' ' GLN . 6.1 ttt85 -126.77 131.21 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.219999999999999 110.231 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -125.07 109.1 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.648 ' O ' HD23 ' A' ' 34' ' ' LEU . 52.2 tt0 -142.82 153.87 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 74.209999999999994 110.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -115.39 162.48 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.3 m -139.36 159.86 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.239999999999995 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -55.63 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.119999999999997 110.323 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER 78.22 53.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 165.74 -172.88 41.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 33.340000000000003 110.994 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -154.01 146.66 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 53.409999999999997 109.288 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.634 HE22 ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -127.54 115.35 18.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 60.439999999999998 110.321 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.803 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.6 150.53 40.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 75.299999999999997 109.302 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 7.2 m-20 -101.64 95.33 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 70.239999999999995 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 t -82.23 134.28 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 54.299999999999997 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.17 94.0 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.01 HD13 HD12 ' A' ' 90' ' ' ILE . 16.9 mt -71.35 -49.29 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 72.25 109.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.8 ttmt -135.57 158.01 45.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.239999999999995 109.289 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.4 ' HA ' ' NE ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -56.56 -19.98 18.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 71.230000000000004 110.436 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -128.56 24.22 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 71.219999999999999 109.246 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 66' ' ' TRP . 11.7 m -141.03 134.48 29.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 50.100000000000001 110.399 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.858 HD22 ' H ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -119.76 146.39 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 109.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.959 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.2 tm? -130.33 106.19 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.049999999999997 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.773 ' HG3' HD11 ' A' ' 45' ' ' LEU . 12.7 mt-10 -84.68 114.87 22.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 73.049999999999997 110.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.613 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -102.78 139.91 37.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 73.549999999999997 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 1.2 m170 -133.25 129.89 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 63.439999999999998 109.594 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.5 tt -107.18 133.48 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.674 ' CE1' ' CB ' ' A' ' 60' ' ' SER . 13.0 p90 -152.61 129.56 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 110.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.68 ' CD1' HD23 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.9 155.35 32.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.969 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.888 ' OD1' HG23 ' A' ' 55' ' ' VAL . 51.5 t0 -129.53 129.66 44.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 70.299999999999997 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.6 OUTLIER -81.95 3.76 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 109.572 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.888 HG23 ' OD1' ' A' ' 53' ' ' ASP . 75.3 t -68.1 -53.47 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 74.150000000000006 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.696 ' CD1' HG12 ' A' ' 55' ' ' VAL . 34.7 m-85 -117.81 8.29 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 111.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 58.13 50.6 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 71.409999999999997 109.565 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.713 HG13 ' OG ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -147.32 167.47 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 62.229999999999997 109.316 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.2 Cg_endo -74.99 165.92 30.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 62.439999999999998 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.674 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 1.3 m -129.63 -179.71 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 61.310000000000002 110.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 137' ' ' TYR . 4.3 mt -150.66 134.23 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 109.303 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.571 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 10.2 ttpt -156.42 116.63 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 62.32 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.959 ' CD1' HD21 ' A' ' 46' ' ' LEU . 22.6 p90 -135.84 173.84 11.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.25 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.662 ' O ' HD22 ' A' ' 46' ' ' LEU . 6.7 mtp180 -140.3 150.33 43.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 72.409999999999997 110.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.983 HD11 HD13 ' A' ' 87' ' ' LEU . 78.4 mt -91.49 144.62 25.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 75.049999999999997 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 87.3 m95 -136.75 149.75 48.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 107.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.838 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -124.19 97.47 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 60.219999999999999 110.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -67.07 122.98 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.304 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.96 114.04 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 71.450000000000003 109.266 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.78 34.66 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 110.392 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.63 -36.39 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 75.099999999999994 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.664 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -108.27 -1.57 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 72.040000000000006 110.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.46 47.41 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.324 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.737 ' H ' HD13 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.98 -7.36 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 70.329999999999998 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.8 t 80.83 48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 72.430000000000007 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.696 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -83.7 176.23 9.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 61.240000000000002 109.992 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.508 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.7 163.38 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.56 137.08 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 110.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 65' ' ' LEU . 11.6 tp -55.13 131.23 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 67' ' ' SER . 31.1 mt -96.84 162.57 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 63.329999999999998 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -154.79 107.27 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.450000000000003 110.413 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -141.33 167.18 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.293 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -56.54 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 50.420000000000002 109.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -45.45 15.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 73.519999999999996 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -67.17 -24.27 65.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.329999999999998 110.045 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.5 mt-10 -79.75 -33.55 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 63.439999999999998 110.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.983 HD13 HD11 ' A' ' 65' ' ' LEU . 2.5 tp -84.2 -28.46 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 72.120000000000005 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.34 -19.24 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 61.299999999999997 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -54.64 -24.76 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.040000000000006 109.991 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.01 HD12 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -115.67 -37.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 70.409999999999997 109.316 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 66.2 mt -85.2 -179.82 7.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 61.009999999999998 109.314 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.6 m-80 -143.87 97.36 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -92.53 -58.03 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 53.439999999999998 109.312 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.57 -81.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.477 1.111 . . . . 64.140000000000001 111.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 6.9 t -113.27 -21.74 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 54.539999999999999 110.396 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 140' ' ' ILE . 12.4 m-85 -66.08 -170.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 63.219999999999999 110.997 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.3 m -153.1 170.31 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 70.329999999999998 110.014 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.536 HG22 ' N ' ' A' ' 99' ' ' THR . 2.6 p -153.67 166.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.536 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.1 m -135.58 124.32 23.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 110.408 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.897 HD13 ' CD1' ' A' ' 111' ' ' TYR . 13.7 tp -98.45 122.18 41.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.200000000000003 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -112.86 128.4 56.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 54.32 109.983 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 106' ' ' MET . 3.3 m -109.59 156.16 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 110.438 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.44 164.06 13.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 50.520000000000003 109.327 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.67 -25.09 59.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 73.329999999999998 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.84 -16.01 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 73.120000000000005 110.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.47 ' HA ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER 59.28 16.91 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 74.310000000000002 110.99 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -14.68 17.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.150000000000006 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.1 p -128.94 128.65 44.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.519999999999996 110.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.458 ' HB ' HG23 ' A' ' 102' ' ' THR . 3.7 p -147.64 151.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.140000000000001 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.835 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -138.5 161.23 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 111.038 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.897 ' CD1' HD13 ' A' ' 100' ' ' LEU . 29.9 m-85 -107.49 80.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 75.209999999999994 110.953 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 71.4 m-85 -67.66 99.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 110.956 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.08 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 109.28 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.87 107.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 61.100000000000001 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' THR . 19.6 p-10 -107.08 -17.9 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 74.349999999999994 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.5 p -52.22 -28.07 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.150000000000006 108.287 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.28 36.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 109.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.46 HG22 ' OH ' ' A' ' 129' ' ' TYR . 1.1 m -83.0 -63.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -21.7 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 75.430000000000007 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.08 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.989 ' HB3' HD21 ' A' ' 136' ' ' LEU . 92.4 m-20 -92.54 -69.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.319999999999993 109.275 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.966 ' CG2' HD22 ' A' ' 136' ' ' LEU . 66.3 t -56.73 -65.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 74.5 109.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 131.94 -140.45 11.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 41.140000000000001 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 t -122.11 -2.22 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 61.43 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.0 89.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.539 HG23 HD12 ' A' ' 2' ' ' LEU . 2.4 p -75.43 -8.19 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 60.229999999999997 109.287 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 27.7 mt-10 -65.52 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 65.239999999999995 110.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -112.91 47.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 109.578 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.897 ' CD1' HG11 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -78.84 -34.82 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 73.219999999999999 110.984 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.908 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.4 mm? -78.97 -20.09 50.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.530000000000001 109.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 64.340000000000003 110.353 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.71 ' NE ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -89.62 -49.73 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 72.230000000000004 110.307 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.529 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 82.9 t90 -44.98 -49.27 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 74.400000000000006 107.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.852 HG21 HD21 ' A' ' 17' ' ' LEU . 6.1 tp -53.37 -53.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.340000000000003 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.543 ' HA ' HG22 ' A' ' 138' ' ' ILE . 1.7 t -67.92 -1.38 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 54.009999999999998 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.989 HD21 ' HB3' ' A' ' 121' ' ' ASN . 2.7 tp -93.44 -54.3 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 61.140000000000001 109.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.775 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -82.99 -44.66 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 74.030000000000001 110.981 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 134' ' ' ILE . 6.4 tp -47.97 -26.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.219999999999999 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -61.1 -39.66 90.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 110.329 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.592 HD11 ' CD2' ' A' ' 96' ' ' PHE . 74.4 mt -61.39 -11.93 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 54.43 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.613 ' CE2' HD12 ' A' ' 48' ' ' LEU . 76.0 m-85 -113.02 -30.28 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 63.030000000000001 110.996 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.62 104.5 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 72.319999999999993 109.337 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.97 2.98 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -111.86 -18.25 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 62.329999999999998 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.422 ' CB ' ' HB2' ' A' ' 142' ' ' ASP . 68.5 t80 -76.24 111.89 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.51 115.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.049999999999997 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.878 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 72.319999999999993 110.969 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 2' ' ' LEU . 9.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.003 -0.369 . . . . 71.329999999999998 110.003 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.83 25.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 55.350000000000001 110.996 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 7' ' ' TYR . 14.7 tp -74.71 109.72 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 52.439999999999998 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 61.4 p -76.68 -171.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 110.398 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.03 -45.6 3.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 71.129999999999995 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -8.15 19.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 61.420000000000002 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 2' ' ' LEU . 29.3 mt-10 -88.17 -39.15 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.450000000000003 110.336 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.707 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -85.96 -36.93 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.540000000000006 110.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 73.299999999999997 109.316 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.35 -32.21 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 72.140000000000001 110.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.5 mp0 -103.57 7.22 37.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 61.350000000000001 110.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.627 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -55.29 -45.46 99.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.271 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.0 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 75.129999999999995 110.99 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.58 -34.7 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 72.230000000000004 109.286 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.952 ' O ' HD23 ' A' ' 18' ' ' LEU . 23.3 t -75.43 -48.43 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 71.120000000000005 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -62.65 -23.88 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.140000000000001 110.267 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 19' ' ' THR . 7.3 t -67.16 -60.76 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 61.520000000000003 110.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.977 HD13 ' CB ' ' A' ' 147' ' ' PRO . 2.9 pp -62.82 -23.67 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 72.319999999999993 109.276 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.952 HD23 ' O ' ' A' ' 14' ' ' VAL . 1.3 mm? -52.3 -23.3 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 53.350000000000001 109.293 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 16' ' ' SER . 75.8 p -62.26 -34.76 77.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 60.409999999999997 110.446 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 11.0 mmmt -57.89 -17.57 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 71.409999999999997 109.339 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 1.041 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.7 t90 -74.32 106.82 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.01 -1.107 . . . . 74.430000000000007 108.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.04 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 43.310000000000002 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.718 ' HB2' HG13 ' A' ' 38' ' ' VAL . 16.1 mtpt -72.39 -25.47 61.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 74.430000000000007 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' A' ' 21' ' ' TRP . 11.7 t -71.57 118.74 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 64.510000000000005 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -108.29 -23.44 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -135.76 131.51 35.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 70.540000000000006 110.336 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -117.18 118.94 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 70.319999999999993 109.348 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.827 ' O ' HD23 ' A' ' 34' ' ' LEU . 51.3 tt0 -134.5 158.02 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.310000000000002 110.259 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -121.32 155.43 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 71.540000000000006 109.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' C ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -133.1 167.63 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 64.25 109.306 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.2 tt0 -61.23 92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 74.530000000000001 110.333 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.755 ' OD1' HD11 ' A' ' 4' ' ' LEU . 6.0 t70 76.09 50.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 65.230000000000004 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 174.12 -165.09 36.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 70.25 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -158.48 153.31 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 73.540000000000006 109.271 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.735 ' C ' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -137.99 105.48 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.314 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.838 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.62 167.52 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 43.329999999999998 109.289 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.35 94.94 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.32 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.041 HG21 ' CH2' ' A' ' 21' ' ' TRP . 26.6 t -91.34 111.53 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 65.099999999999994 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.604 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -85.8 85.95 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 35.229999999999997 110.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.772 HD12 HG12 ' A' ' 38' ' ' VAL . 7.5 mp -63.65 -39.08 93.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 71.150000000000006 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -142.71 154.75 44.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.349999999999994 109.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -61.6 -14.46 30.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 71.409999999999997 110.393 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -123.82 11.32 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 64.040000000000006 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.1 m -134.01 146.49 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 64.319999999999993 110.36 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 45' ' ' LEU . 2.7 tm? -133.0 136.63 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 64.340000000000003 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' A' ' 40' ' ' LEU . 1.3 tm? -114.99 99.07 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.282 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 2.1 tt0 -82.45 109.42 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.400000000000006 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.704 HD13 ' N ' ' A' ' 49' ' ' HIS . 2.4 tm? -98.05 131.68 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 51.240000000000002 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.704 ' N ' HD13 ' A' ' 48' ' ' LEU . 2.1 m170 -128.29 120.52 27.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 75.019999999999996 109.583 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 2.7 tt -104.43 125.38 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 73.239999999999995 109.336 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 43.5 p90 -144.17 138.7 28.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 1.2 t80 -85.48 155.21 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 65.25 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t0 -127.87 130.09 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 75.340000000000003 109.277 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 54' ' ' HIS . 1.0 OUTLIER -84.23 3.5 35.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 63.43 109.599 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.522 HG23 ' OD1' ' A' ' 53' ' ' ASP . 67.0 t -72.16 -50.67 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 51.43 109.359 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.402 ' C ' HG22 ' A' ' 58' ' ' VAL . 81.6 m-85 -115.91 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.120000000000005 110.985 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.0 m-70 57.86 56.63 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.150000000000006 109.647 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -156.09 164.91 19.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 74.120000000000005 109.304 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.94 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 72.129999999999995 110.998 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 10.9 m -122.3 177.42 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 73.549999999999997 110.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.616 HG21 HD12 ' A' ' 113' ' ' ILE . 2.9 mt -139.21 136.33 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 75.150000000000006 109.306 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 11.9 ttpt -155.61 116.46 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 72.209999999999994 109.327 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 91' ' ' LEU . 23.3 p90 -135.38 170.48 15.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 65.510000000000005 111.014 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.762 ' HB3' HD11 ' A' ' 79' ' ' LEU . 5.5 mtm180 -150.64 113.0 4.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 79' ' ' LEU . 8.8 mp -66.48 145.34 55.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 62.219999999999999 109.316 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 83.2 m95 -133.15 151.68 51.97 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 72.299999999999997 108.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.724 ' HB2' HD11 ' A' ' 80' ' ' LEU . 1.3 t -119.09 97.83 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.604 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.61 123.84 21.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -118.21 113.47 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 70.430000000000007 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.66 33.85 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 110.433 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.48 -36.37 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 54.310000000000002 110.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.666 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.7 mt-10 -108.33 -1.65 19.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.76 47.54 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 73.209999999999994 109.318 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.727 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.96 -8.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 75.299999999999997 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.52 45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 41.210000000000001 110.02 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.714 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -77.99 178.97 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 44.200000000000003 110.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.2 pp -174.13 160.36 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 61.450000000000003 109.262 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -155.0 130.04 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 74.340000000000003 110.324 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.4 tp -49.14 136.21 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.349999999999994 109.269 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 67' ' ' SER . 42.6 mt -99.64 115.43 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 74.439999999999998 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.5 m -118.34 93.14 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.030000000000001 110.407 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.842 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -124.17 167.03 14.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 60.439999999999998 109.305 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 171.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 61.25 109.979 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -63.8 -38.91 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 65.420000000000002 109.3 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -50.2 -42.42 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 72.549999999999997 110.008 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.4 mt-10 -79.62 -45.15 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.230000000000004 110.26 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.917 HD11 HD12 ' A' ' 91' ' ' LEU . 2.9 tm? -58.66 -22.67 57.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 75.239999999999995 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.497 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -86.02 -21.87 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 110.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -58.57 -16.18 14.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 52.229999999999997 110.004 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -124.74 -44.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 33.530000000000001 109.272 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.917 HD12 HD11 ' A' ' 87' ' ' LEU . 4.8 mt -78.17 173.21 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 74.040000000000006 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 140' ' ' ILE . 71.3 m-80 -133.6 100.52 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.319999999999993 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.75 -57.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 109.28 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.01 -85.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 73.519999999999996 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -122.81 4.45 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.400000000000006 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.22 -171.78 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 64.030000000000001 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -145.36 162.76 36.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 63.210000000000001 109.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.576 HG22 ' H ' ' A' ' 99' ' ' THR . 7.5 p -148.91 172.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 65.109999999999999 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.576 ' H ' HG22 ' A' ' 98' ' ' VAL . 1.3 m -150.33 111.29 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 73.230000000000004 110.359 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 109' ' ' VAL . 7.9 tt -89.43 121.52 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 75.439999999999998 109.255 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -127.62 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 71.5 109.982 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.75 HG22 HG22 ' A' ' 109' ' ' VAL . 2.2 p -128.27 153.99 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 71.099999999999994 110.444 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.34 167.72 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 71.129999999999995 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 37.4 tpp -57.08 -29.62 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 111.051 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.52 -18.74 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 72.310000000000002 110.328 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.2 mtp 52.21 24.15 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 64.510000000000005 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -15.65 16.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 75.239999999999995 109.325 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -129.18 157.98 40.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 72.430000000000007 110.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 100' ' ' LEU . 3.2 t -144.16 153.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.120000000000005 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -140.97 167.65 21.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.319999999999993 110.973 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CE1' HD12 ' A' ' 100' ' ' LEU . 30.0 m-85 -122.88 78.58 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 110.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 48.5 m-85 -65.84 105.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 72.450000000000003 111.011 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.616 HD12 HG21 ' A' ' 61' ' ' ILE . 5.6 mt -70.66 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -66.72 111.03 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -140.63 45.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 71.129999999999995 109.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.0 p -89.4 -46.27 8.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 108.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 11.2 p-10 -108.69 76.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.400000000000006 109.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.914 HG22 ' OH ' ' A' ' 129' ' ' TYR . 1.1 m -83.18 -57.37 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.340000000000003 110.359 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.408 ' HB2' ' N ' ' A' ' 0' ' ' SER . 24.5 t0 -50.43 -26.54 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 62.130000000000003 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.89 -28.27 21.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 65.230000000000004 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' THR . 59.5 m-20 -86.7 -70.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 73.010000000000005 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.914 HG22 ' CD1' ' A' ' 136' ' ' LEU . 37.5 t -60.28 -66.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 72.430000000000007 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.0 -33.13 4.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 70.129999999999995 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 33.1 t -36.8 141.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 64.109999999999999 109.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -59.79 176.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 71.310000000000002 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 2' ' ' LEU . 33.3 t -82.96 -8.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -54.79 -67.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 70.439999999999998 110.311 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.44 ' CB ' ' OG1' ' A' ' 131' ' ' THR . 0.0 OUTLIER -123.72 47.43 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 63.020000000000003 109.603 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.914 ' OH ' HG22 ' A' ' 118' ' ' THR . 3.4 t80 -67.77 -36.25 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 64.430000000000007 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 7' ' ' TYR . 2.4 mm? -68.02 -26.04 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 73.150000000000006 109.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.44 ' OG1' ' CB ' ' A' ' 128' ' ' HIS . 16.9 p -90.56 -30.51 17.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 75.510000000000005 110.413 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -16.28 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 65.310000000000002 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 79.6 t90 -88.26 -42.02 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 72.540000000000006 108.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.803 HD12 ' CE2' ' A' ' 137' ' ' TYR . 7.0 tp -58.23 -50.0 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.299999999999997 109.294 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.6 ' HA ' HG22 ' A' ' 138' ' ' ILE . 45.1 t -74.06 -0.01 15.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 75.400000000000006 110.007 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.914 ' CD1' HG22 ' A' ' 122' ' ' VAL . 2.9 tt -98.22 -43.79 6.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 61.43 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.803 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -89.66 -40.09 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.510000000000005 111.006 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.682 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 6.3 tp -56.95 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.6 mtp180 -64.58 -11.06 30.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 74.129999999999995 110.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 92' ' ' ASN . 24.0 mt -88.57 -10.89 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.424 ' CE2' ' HE1' ' A' ' 137' ' ' TYR . 96.9 m-85 -115.85 -28.08 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 111.017 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.568 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -147.99 117.93 7.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 42.520000000000003 109.266 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.649 HD12 ' CG ' ' A' ' 92' ' ' ASN . 8.4 mt -98.53 3.07 48.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 42.43 109.324 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -106.06 -18.16 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.329999999999998 109.304 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.9 t80 -101.22 102.31 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 72.439999999999998 110.99 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.94 93.62 30.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 72.420000000000002 109.312 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.977 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 72.450000000000003 110.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.474 ' CB ' ' CG1' ' A' ' 58' ' ' VAL . 2.4 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.0 -0.37 . . . . 53.43 110.0 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptm -89.43 -13.99 36.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 62.25 110.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.764 HD21 ' HB2' ' A' ' 7' ' ' TYR . 16.3 tp -50.81 110.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 73.340000000000003 109.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.501 HG23 ' OE1' ' A' ' 6' ' ' GLU . 60.7 p -77.51 -171.42 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 110.443 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -75.75 -45.66 4.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 109.326 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 71.420000000000002 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.732 ' HB3' HD12 ' A' ' 2' ' ' LEU . 26.3 mt-10 -88.51 -39.72 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 75.219999999999999 110.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.881 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.23 -36.68 19.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 111.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.587 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -63.92 -18.34 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.439999999999998 109.313 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -72.91 -24.6 60.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.109999999999999 110.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 21.3 mt-30 -111.49 12.04 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 75.329999999999998 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.881 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -58.81 -46.16 99.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.019999999999996 109.338 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.91 0.11 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 71.030000000000001 111.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -94.02 -33.6 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 71.25 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 130' ' ' LEU . 97.7 t -77.89 -39.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.150000000000006 109.268 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 43.3 ptt85 -66.39 -31.28 71.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.267 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.791 ' O ' HG23 ' A' ' 19' ' ' THR . 22.7 t -62.59 -60.85 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 64.219999999999999 110.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.955 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -59.16 -23.57 62.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 70.439999999999998 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -58.58 -21.14 52.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 53.329999999999998 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 16' ' ' SER . 60.9 p -68.4 -7.59 32.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 61.109999999999999 110.391 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 44.4 mttp -86.79 -29.77 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.776 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.6 t90 -59.17 108.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 75.25 108.039 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.68 ' HB2' HG13 ' A' ' 38' ' ' VAL . 3.6 mtmm -76.94 -26.25 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.109999999999999 109.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 15.6 t -70.91 124.63 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 73.230000000000004 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -113.17 -19.96 11.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 60.509999999999998 110.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.400000000000006 110.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -128.04 104.77 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 61.539999999999999 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' HD23 ' A' ' 34' ' ' LEU . 46.6 tt0 -132.35 156.02 47.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 71.209999999999994 110.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.2 p-10 -120.66 163.69 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.329999999999998 109.287 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG22 ' CA ' ' A' ' 34' ' ' LEU . 2.6 m -134.77 168.68 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.7 OUTLIER -65.49 93.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 71.310000000000002 110.317 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 78.74 52.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.276 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.78 -159.19 31.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 62.039999999999999 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -156.38 160.47 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 72.319999999999993 109.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.766 ' C ' HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -146.56 106.86 4.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 110.293 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -105.45 163.52 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 71.209999999999994 109.277 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.47 95.17 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 72.299999999999997 109.289 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.776 HG21 ' CH2' ' A' ' 21' ' ' TRP . 18.6 t -84.01 146.31 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 72.349999999999994 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -111.33 85.09 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 71.109999999999999 110.319 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB3' HG21 ' A' ' 90' ' ' ILE . 28.4 mt -63.93 -51.48 64.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.329999999999998 109.321 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.4 ttmt -135.23 156.57 48.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.019999999999996 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -59.93 -15.96 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 74.040000000000006 110.397 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' LEU . 32.4 m-20 -123.99 17.48 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 42.119999999999997 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 66' ' ' TRP . 91.6 m -139.0 151.21 46.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.4 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.76 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -135.23 136.76 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 109.288 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.771 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.39 99.56 7.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.519 ' N ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -87.27 108.8 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.266 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.666 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 0.6 OUTLIER -95.66 139.14 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 70.209999999999994 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -134.5 112.12 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 109.633 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.3 tt -89.41 136.63 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 71.319999999999993 109.261 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.0 p90 -151.5 129.44 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.63 ' CD1' HD23 ' A' ' 4' ' ' LEU . 11.6 t80 -79.01 133.08 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 111.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CG ' HG12 ' A' ' 55' ' ' VAL . 13.0 t0 -102.31 119.71 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 70.530000000000001 109.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.12 3.6 22.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 109.6 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.698 ' CG1' ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -82.65 -36.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.698 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 28.0 m-85 -116.17 -7.55 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 110.979 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.521 ' O ' HG13 ' A' ' 58' ' ' VAL . 62.5 m-70 65.04 49.1 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.519999999999996 109.61 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -157.38 163.68 24.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.535 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 150.35 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 64.519999999999996 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 33.5 t -123.96 176.58 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 74.329999999999998 109.999 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.626 HD11 ' CG ' ' A' ' 137' ' ' TYR . 9.2 mt -137.18 141.18 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.509999999999998 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 13.4 ttpt -155.66 117.11 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 72.25 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 91' ' ' LEU . 38.7 p90 -136.13 164.6 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 64.319999999999993 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.767 ' HB3' HD11 ' A' ' 79' ' ' LEU . 10.0 mtm180 -137.28 134.18 35.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 72.319999999999993 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.045 HD11 HD13 ' A' ' 87' ' ' LEU . 83.2 mt -72.41 148.27 45.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 60.149999999999999 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.858 ' O ' HG23 ' A' ' 44' ' ' THR . 94.6 m95 -139.95 160.06 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 108.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.75 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.81 97.9 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 74.439999999999998 109.971 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.33 124.61 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 65.140000000000001 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.61 113.28 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.28 30.16 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 73.299999999999997 110.409 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -42.22 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 65.319999999999993 110.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.2 mt-10 -104.09 -15.5 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 54.439999999999998 110.335 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 5.8 t0 81.15 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 60.020000000000003 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.807 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -9.89 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 63.130000000000003 109.291 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.5 t 84.04 41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 71.329999999999998 109.994 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.807 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -75.34 176.33 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 62.310000000000002 110.007 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.484 HD12 ' C ' ' A' ' 77' ' ' LEU . 3.6 pp -168.38 162.98 12.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.343 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 67' ' ' SER . 7.0 tpt180 -155.41 131.41 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 73.299999999999997 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.4 tp -50.23 132.36 24.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 67' ' ' SER . 29.3 mt -99.51 162.63 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.338 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.4 p -156.67 111.47 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 110.416 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -142.0 167.0 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 72.519999999999996 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -55.62 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 75.129999999999995 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.94 -41.25 21.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 71.519999999999996 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -64.67 -36.57 84.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 75.519999999999996 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.582 ' HB3' HD12 ' A' ' 82' ' ' LEU . 3.7 mm-40 -75.13 -29.75 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.230000000000004 110.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.045 HD13 HD11 ' A' ' 65' ' ' LEU . 2.2 tp -82.73 -27.36 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.209999999999994 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -7.2 33.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 65.230000000000004 110.286 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.572 ' HB3' HD13 ' A' ' 90' ' ' ILE . 1.9 t -67.05 -25.26 66.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 110.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.677 HD13 ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.16 -37.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 73.510000000000005 109.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.875 ' CD1' HD11 ' A' ' 87' ' ' LEU . 92.6 mt -85.37 -179.66 7.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 62.200000000000003 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.533 ' CG ' HD12 ' A' ' 143' ' ' LEU . 69.7 m-80 -143.95 97.24 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 74.540000000000006 109.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.63 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.29 -58.2 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 109.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.62 -81.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 44.020000000000003 111.013 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.8 t -113.52 -21.41 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 73.230000000000004 110.43 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 140' ' ' ILE . 16.0 m-85 -65.03 -171.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 64.209999999999994 110.954 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.8 m -148.26 171.99 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 74.319999999999993 110.003 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 99' ' ' THR . 14.4 p -153.67 170.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.4 m -138.03 114.78 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.540000000000006 110.408 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.96 HD22 ' CE1' ' A' ' 111' ' ' TYR . 1.6 tp -93.99 120.85 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.219999999999999 109.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.469 ' N ' HD12 ' A' ' 100' ' ' LEU . 5.9 t -118.91 138.31 52.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 53.530000000000001 110.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.75 HG23 HG22 ' A' ' 109' ' ' VAL . 8.4 m -146.43 151.92 38.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 75.010000000000005 110.418 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -99.02 160.95 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.239999999999995 109.244 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpp -53.07 -36.58 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 73.540000000000006 111.021 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -28.41 55.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.6 mmm 62.09 23.47 13.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 44.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 108' ' ' SER . 0.0 OUTLIER -104.21 -34.74 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 60.409999999999997 109.298 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.463 ' HB3' ' CE ' ' A' ' 107' ' ' LYS . 89.9 p -110.23 134.7 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 65.120000000000005 110.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.75 HG22 HG23 ' A' ' 102' ' ' THR . 60.7 t -149.42 152.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.119999999999997 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -148.65 160.2 43.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 110.963 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.96 ' CE1' HD22 ' A' ' 100' ' ' LEU . 32.8 m-85 -119.66 80.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.140000000000001 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 89.7 m-85 -68.41 109.02 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.947 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 6.4 mt -75.73 142.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 42.329999999999998 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.22 112.92 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 63.100000000000001 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 20.9 t30 -119.57 8.58 11.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 72.329999999999998 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.0 p -70.15 -29.73 66.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 71.319999999999993 108.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.67 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 65.519999999999996 109.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m -83.21 -62.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 110.423 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.82 -21.5 63.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.040000000000006 109.275 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.98 31.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -93.73 -69.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 75.540000000000006 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.891 HG22 HD13 ' A' ' 136' ' ' LEU . 3.3 t -76.02 -65.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 74.349999999999994 109.326 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.14 -116.79 5.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 75.319999999999993 111.041 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.609 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.9 p -86.22 -99.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 74.420000000000002 109.998 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 124' ' ' SER . 2.3 m-20 34.79 53.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.76 -8.49 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.049999999999997 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -67.63 -66.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.340000000000003 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 47.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 74.5 109.597 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 124' ' ' SER . 5.2 t80 -74.03 -41.14 62.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.716 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.0 mm? -67.68 -27.73 67.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 64.420000000000002 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.6 p -88.07 -34.89 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 72.219999999999999 110.383 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.8 tpt85 -84.72 -17.12 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 64.519999999999996 110.318 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.515 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 81.8 t90 -84.36 -45.39 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.972 -1.122 . . . . 74.120000000000005 107.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.843 HD12 ' CE2' ' A' ' 137' ' ' TYR . 8.0 tp -56.68 -53.78 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 72.349999999999994 109.352 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.591 ' HA ' HG22 ' A' ' 138' ' ' ILE . 37.6 t -71.31 1.47 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.979 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.891 HD13 HG22 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.74 -45.88 6.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 109.312 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.843 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -94.26 -42.95 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 110.995 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 134' ' ' ILE . 5.9 tp -48.36 -24.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.319999999999993 109.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 135' ' ' SER . 46.4 mtp85 -59.73 -39.26 84.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 110.297 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 92' ' ' ASN . 72.4 mt -61.51 -11.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 63.350000000000001 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.666 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 82.0 m-85 -112.59 -31.76 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 71.239999999999995 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 145' ' ' PHE . 17.7 t0 -148.51 106.97 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 43.130000000000003 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 92' ' ' ASN . 7.0 mt -90.06 3.18 54.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 75.340000000000003 109.257 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.62 -18.74 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 61.219999999999999 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 3.3 t80 -102.92 109.39 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.230000000000004 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.87 92.0 37.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 71.349999999999994 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.955 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 74.239999999999995 111.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.435 0.16 . . . . 75.200000000000003 110.979 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.748 HD13 HG13 ' A' ' 126' ' ' VAL . 13.8 tp -50.59 106.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 70.439999999999998 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 70.0 p -74.96 -171.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 51.109999999999999 110.386 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.54 -45.32 3.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 71.140000000000001 109.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -12.74 21.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 74.219999999999999 111.041 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.433 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.1 mm-40 -88.57 -33.09 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.329999999999998 110.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.657 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.68 -24.95 22.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 75.349999999999994 110.982 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 8.8 t-20 -76.47 -16.65 59.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 52.409999999999997 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 70.230000000000004 110.25 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 15.7 mt-30 -114.04 15.44 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.325 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -60.97 -48.38 92.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 55.530000000000001 109.273 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 71.299999999999997 111.007 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.3 m-20 -92.4 -34.15 14.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 130' ' ' LEU . 24.7 t -69.6 -49.4 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 75.200000000000003 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 19' ' ' THR . 6.2 ptm180 -65.88 -34.41 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -54.49 -43.81 72.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 110.001 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.9 pp -85.19 -32.28 22.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 71.430000000000007 109.312 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.841 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.5 tp -55.9 -26.77 48.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 65.129999999999995 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.908 HG23 ' O ' ' A' ' 15' ' ' ARG . 72.3 p -55.36 -27.91 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 110.403 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 30.5 mttm -58.41 -30.4 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.855 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -50.91 130.02 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 60.520000000000003 107.995 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.83 -15.51 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' HB2' HG13 ' A' ' 38' ' ' VAL . 3.4 mtmm -85.33 -26.54 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 52.020000000000003 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 10.7 t -63.81 117.16 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 62.439999999999998 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 29.4 tt0 -107.68 -26.84 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 64.329999999999998 110.328 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -124.88 144.89 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.120000000000005 110.342 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 HD23 ' A' ' 36' ' ' LEU . 2.1 mm -130.85 103.85 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 61.520000000000003 109.245 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.5 tt0 -131.28 135.6 47.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 62.130000000000003 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 34' ' ' LEU . 7.4 t70 -101.19 161.06 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 64.140000000000001 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.8 m -135.02 168.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.04 32.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 72.310000000000002 110.275 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -168.35 32.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 64.349999999999994 109.289 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' HD11 ' A' ' 11' ' ' ILE . . . 136.75 -119.02 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 63.539999999999999 110.952 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -165.71 153.94 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 0.811 . . . . 73.310000000000002 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.469 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 1.8 tm0? -134.59 106.18 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 70.519999999999996 110.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.707 ' CD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.99 165.02 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 73.25 109.315 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.827 ' OD1' HD21 ' A' ' 45' ' ' LEU . 2.8 t0 -119.48 96.01 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.120000000000005 109.276 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.855 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 15.7 t -86.49 126.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 73.430000000000007 109.253 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 8.4 tpp180 -94.99 89.2 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 61.200000000000003 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' ' 46' ' ' LEU . 9.3 mp -68.46 -32.58 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.5 ttmm -149.28 156.47 42.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.219999999999999 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.37 -19.36 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 64.040000000000006 110.411 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.65 15.19 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.530000000000001 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.452 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 5.7 m -135.92 123.62 22.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.319999999999993 110.439 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.827 HD21 ' OD1' ' A' ' 37' ' ' ASP . 1.3 tm? -121.12 134.92 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 61.109999999999999 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.826 HD21 ' CD1' ' A' ' 63' ' ' PHE . 3.4 tm? -117.7 105.25 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 62.140000000000001 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.8 tp10 -78.79 102.31 8.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 74.140000000000001 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.7 tm? -81.16 121.04 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.539 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.8 m170 -121.14 116.33 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 74.040000000000006 109.595 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.8 tt -100.7 137.34 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 54.43 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 6.3 p90 -151.25 142.32 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 75.329999999999998 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 33.9 t80 -83.41 150.93 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 71.099999999999994 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.55 ' OD2' HG23 ' A' ' 55' ' ' VAL . 36.9 t0 -130.21 114.68 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 51.100000000000001 109.33 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.439 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 3.5 m-70 -73.63 -4.45 34.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.586 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG23 ' OD2' ' A' ' 53' ' ' ASP . 75.9 t -60.88 -45.14 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 74.400000000000006 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.498 ' CD1' HG12 ' A' ' 55' ' ' VAL . 43.6 m-85 -119.14 0.96 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.310000000000002 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 64.89 44.04 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 51.409999999999997 109.581 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 HG22 ' A' ' 118' ' ' THR . 0.0 OUTLIER -148.66 165.19 18.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 75.329999999999998 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 18.2 Cg_endo -75.03 159.61 41.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 72.409999999999997 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.636 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 18.5 m -124.96 176.23 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 54.420000000000002 109.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.69 HG21 HD12 ' A' ' 113' ' ' ILE . 7.0 mt -138.56 129.2 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 65.010000000000005 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 8.3 ttpt -147.34 117.06 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 65.310000000000002 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.826 ' CD1' HD21 ' A' ' 46' ' ' LEU . 7.5 p90 -130.78 165.4 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.579 ' HB3' HD11 ' A' ' 79' ' ' LEU . 8.6 mtp180 -139.0 137.01 35.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.944 ' O ' HD12 ' A' ' 79' ' ' LEU . 35.9 mt -82.25 142.31 32.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 96.0 m95 -130.32 160.41 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 64.450000000000003 107.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.82 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -130.68 97.46 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 75.450000000000003 110.017 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.77 125.44 26.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 72.109999999999999 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -123.01 112.58 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.14 34.32 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 73.209999999999994 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.74 -44.49 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 110.312 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -103.24 -12.86 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER 81.69 53.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.310000000000002 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.821 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -6.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 55.229999999999997 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.9 t 74.78 44.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.420000000000002 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.821 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -84.81 176.47 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.200000000000003 110.021 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -165.94 166.14 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 73.010000000000005 109.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -155.48 134.54 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 75.150000000000006 110.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.944 HD12 ' O ' ' A' ' 65' ' ' LEU . 33.2 tp -55.14 141.88 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 70.049999999999997 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 67' ' ' SER . 95.0 mt -111.01 162.39 14.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.2 p -154.95 120.31 5.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 110.461 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -144.56 167.08 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 73.109999999999999 109.257 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -69.05 -175.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 61.240000000000002 109.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -67.62 -54.97 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 65.430000000000007 109.324 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -50.11 -37.69 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.981 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.439 ' HB3' HD12 ' A' ' 82' ' ' LEU . 7.9 mt-10 -81.11 -32.24 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 74.409999999999997 110.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.059 HD21 HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -75.76 -17.69 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.329999999999998 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -86.05 -17.65 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 62.299999999999997 110.285 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -57.59 -17.2 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.5 110.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.522 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.72 -48.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 64.140000000000001 109.281 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.059 HD12 HD21 ' A' ' 87' ' ' LEU . 19.9 mt -79.44 166.73 21.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 62.509999999999998 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.846 ' CG ' HD12 ' A' ' 143' ' ' LEU . 65.5 m-80 -124.56 103.33 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.420000000000002 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -92.88 -58.13 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 70.140000000000001 109.272 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.87 -88.14 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 45.219999999999999 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.2 t -120.21 -5.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 73.329999999999998 110.417 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.27 -170.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.2 m -146.73 147.27 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.140000000000001 110.012 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 p -140.64 158.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 m -133.81 108.12 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.230000000000004 110.385 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.971 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.2 tt -99.44 123.39 43.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 71.349999999999994 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.502 ' N ' HD23 ' A' ' 100' ' ' LEU . 11.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 33.509999999999998 110.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.026 -0.361 . . . . 73.420000000000002 110.026 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.773 HG21 HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -149.54 163.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 72.120000000000005 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -141.51 157.84 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.099999999999994 111.017 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.971 ' CE1' HD12 ' A' ' 100' ' ' LEU . 22.6 m-85 -111.04 79.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 75.450000000000003 111.035 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 76.5 m-85 -70.78 104.15 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 61.009999999999998 110.978 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 61' ' ' ILE . 6.0 mt -70.46 139.13 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.02 111.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 54.219999999999999 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 8.9 p-10 -139.09 47.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 61.100000000000001 109.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 20.3 p -88.63 -46.03 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 108.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.43 ' CG ' ' HB2' ' A' ' 120' ' ' ALA . 19.6 t0 -112.22 76.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 54.030000000000001 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.643 HG22 HG11 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -83.08 -50.24 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.549999999999997 110.402 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' N ' ' CG2' ' A' ' 118' ' ' THR . 2.7 p30 -49.4 -26.11 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 74.109999999999999 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.43 ' HB2' ' CG ' ' A' ' 117' ' ' ASP . . . -67.55 -39.96 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.310000000000002 109.302 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HB3' HD11 ' A' ' 136' ' ' LEU . 72.9 m-20 -94.57 -64.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.310000000000002 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.852 HG11 ' CE1' ' A' ' 129' ' ' TYR . 14.2 t -52.4 -65.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 71.319999999999993 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' ASP . . . 132.49 -153.34 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 126' ' ' VAL . 9.5 m -113.58 -15.37 12.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 60.009999999999998 110.014 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.57 92.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.338 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.748 HG13 HD13 ' A' ' 2' ' ' LEU . 17.1 t -73.74 -8.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 72.319999999999993 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 16.5 mt-10 -68.5 -67.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 72.239999999999995 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.65 46.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.6 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.852 ' CE1' HG11 ' A' ' 122' ' ' VAL . 1.2 t80 -79.73 -49.02 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 64.450000000000003 110.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.834 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.5 mm? -59.25 -26.36 64.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.29 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -88.42 -51.93 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 64.319999999999993 110.431 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 4.4 tpt180 -65.71 -17.22 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 72.239999999999995 110.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.619 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 67.7 t90 -83.95 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 75.109999999999999 107.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.834 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.2 tp -53.92 -56.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.329 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.48 ' N ' HG23 ' A' ' 134' ' ' ILE . 32.7 t -55.18 -17.6 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 110.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.5 ' C ' HD23 ' A' ' 136' ' ' LEU . 1.9 tt -92.92 -32.63 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 71.099999999999994 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 11.9 m-85 -94.75 -2.28 51.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 134' ' ' ILE . 3.9 tp -86.36 -19.8 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.239999999999995 109.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -67.88 -7.99 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 110.34 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 92' ' ' ASN . 21.8 mt -93.79 -10.61 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 64.400000000000006 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.647 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.6 m-85 -111.51 -39.9 4.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 73.319999999999993 110.969 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.93 116.17 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 74.430000000000007 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.846 HD12 ' CG ' ' A' ' 92' ' ' ASN . 1.1 mt -90.98 3.1 55.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 109.326 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -102.61 -11.89 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 51.229999999999997 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.5 t80 -111.32 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 74.140000000000001 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.93 95.24 37.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.549999999999997 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.769 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 71.549999999999997 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 73.530000000000001 111.028 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.797 HD13 HG13 ' A' ' 126' ' ' VAL . 22.2 tp -74.83 111.41 10.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 74.540000000000006 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.487 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.2 p -76.54 -171.62 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 61.200000000000003 110.409 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -76.29 -45.65 3.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 60.219999999999999 109.289 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -9.96 21.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 51.229999999999997 111.018 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.671 ' HB3' HD12 ' A' ' 2' ' ' LEU . 3.7 mm-40 -88.33 -35.62 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 72.329999999999998 110.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.731 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.67 -32.29 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 111.017 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 t-20 -69.03 -16.3 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 63.25 109.298 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -73.37 -23.93 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 55.109999999999999 110.253 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -111.13 12.74 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 71.310000000000002 110.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -56.91 -47.49 98.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 72.510000000000005 109.322 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -74.99 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.481 1.779 . . . . 73.230000000000004 111.028 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.86 -35.22 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.349999999999994 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 130' ' ' LEU . 31.0 t -67.43 -47.46 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 71.230000000000004 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.899 ' O ' HG23 ' A' ' 19' ' ' THR . 21.8 ptt85 -66.93 -35.0 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 110.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -53.33 -43.7 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 53.520000000000003 110.017 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.856 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -84.99 -32.0 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.797 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.5 tp -56.54 -23.37 39.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 52.43 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 15' ' ' ARG . 72.5 p -60.52 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 71.540000000000006 110.411 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 1.3 mmmp? -58.68 -30.72 67.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 62.409999999999997 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 1.047 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.1 t90 -48.86 118.75 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.005 -1.109 . . . . 73.439999999999998 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.09 -14.07 45.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 65.340000000000003 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.758 ' HB2' HG13 ' A' ' 38' ' ' VAL . 1.7 mtmm -85.99 -26.31 25.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 41.109999999999999 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' CD2' ' A' ' 21' ' ' TRP . 4.1 t -61.55 141.86 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -118.79 -37.21 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 63.420000000000002 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -132.97 133.91 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 72.150000000000006 110.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -113.38 117.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.150000000000006 109.276 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.714 ' O ' HD23 ' A' ' 34' ' ' LEU . 14.7 tt0 -138.75 145.12 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 110.275 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.45 160.86 15.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 72.030000000000001 109.289 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' C ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -137.04 174.99 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.409999999999997 109.272 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -62.55 92.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.82 48.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 72.510000000000005 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.497 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 177.93 -170.4 42.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 62.329999999999998 111.0 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -157.65 140.84 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 52.549999999999997 109.302 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.81 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.4 tm0? -126.69 105.3 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 71.439999999999998 110.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.96 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.49 171.04 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 73.230000000000004 109.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.94 94.57 4.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 53.409999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.047 HG21 ' CH2' ' A' ' 21' ' ' TRP . 29.7 t -90.42 131.2 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.549999999999997 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.445 ' NH1' HD13 ' A' ' 68' ' ' LEU . 5.9 tpp180 -105.01 90.99 3.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 74.120000000000005 110.34 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.63 HD12 HG12 ' A' ' 38' ' ' VAL . 8.3 mp -69.38 -36.3 76.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 71.099999999999994 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.0 ttmt -140.51 156.52 46.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 64.340000000000003 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -60.45 -14.64 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 110.382 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -129.02 19.8 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 61.130000000000003 109.269 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 24.8 m -135.5 148.44 49.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 73.540000000000006 110.427 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 38' ' ' VAL . 1.5 tm? -141.48 129.45 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 70.340000000000003 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.721 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.3 tm? -115.68 96.28 5.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.439999999999998 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -74.62 122.09 22.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.37 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.7 tm? -105.16 125.33 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.150000000000006 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.542 ' N ' HD13 ' A' ' 48' ' ' LEU . 6.7 m170 -121.95 124.04 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 74.209999999999994 109.596 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.1 tt -102.14 126.22 56.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.230000000000004 109.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 20.4 p90 -143.77 150.01 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 111.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.653 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -105.7 151.37 24.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.973 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' CD2' ' A' ' 56' ' ' TYR . 57.9 t0 -111.33 133.84 53.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 44.130000000000003 109.27 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -88.18 3.41 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 73.030000000000001 109.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -104.81 -17.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.703 ' O ' HG22 ' A' ' 58' ' ' VAL . 18.9 m-30 -116.55 -13.65 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 75.319999999999993 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' O ' HG13 ' A' ' 58' ' ' VAL . 34.4 m-70 57.51 37.81 27.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 70.25 109.625 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -156.8 162.03 28.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 74.099999999999994 109.281 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 118' ' ' THR . 18.3 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 61.310000000000002 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.573 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -138.12 -174.21 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 73.349999999999994 110.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.574 HG13 ' CD1' ' A' ' 137' ' ' TYR . 1.6 mm -138.32 138.6 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 74.340000000000003 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.538 ' HZ3' ' HD1' ' A' ' 110' ' ' TYR . 10.1 tttp -155.43 130.57 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.25 109.266 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 22.7 p90 -148.51 173.89 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 61.340000000000003 111.012 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.835 ' HB3' HD11 ' A' ' 79' ' ' LEU . 19.2 mtm180 -147.25 134.14 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 70.530000000000001 110.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 79' ' ' LEU . 77.3 mt -76.44 144.38 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 74.200000000000003 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.726 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 80.4 m95 -138.72 152.98 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 74.319999999999993 108.039 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.87 ' HB2' HD11 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -129.15 97.7 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 73.530000000000001 109.982 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.445 HD13 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.8 124.97 22.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 72.25 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.19 113.65 22.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.049999999999997 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.7 36.61 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.91 -40.32 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.120000000000005 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.615 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.9 mt-10 -106.95 -3.12 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 110.248 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 66.86 50.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.450000000000003 109.286 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.74 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.86 -8.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 71.140000000000001 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.6 t 79.11 44.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 33.340000000000003 110.04 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.74 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.68 177.29 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.439999999999998 109.979 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -169.16 165.71 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 74.5 109.313 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -155.15 145.42 21.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 63.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.88 HD12 ' O ' ' A' ' 65' ' ' LEU . 21.6 tp -66.24 130.6 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 61.439999999999998 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.87 HD11 ' HB2' ' A' ' 67' ' ' SER . 30.2 mt -95.24 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 93.96 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.120000000000005 110.407 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -126.47 167.0 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 109.267 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 t -71.94 -168.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 34.520000000000003 109.972 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -72.77 -54.85 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 73.439999999999998 109.294 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.7 m -39.23 -30.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 65.400000000000006 110.045 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.844 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.9 mt-10 -87.01 -47.89 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 50.219999999999999 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.666 ' CD1' HD11 ' A' ' 65' ' ' LEU . 50.5 tp -54.89 -58.53 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 51.409999999999997 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -29.48 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 110.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.0 t -45.15 -28.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 63.020000000000003 110.034 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.69 -41.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 64.109999999999999 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 7.8 mt -75.32 165.15 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.310000000000002 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.807 ' O ' HG23 ' A' ' 140' ' ' ILE . 67.9 m-80 -126.78 103.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 64.430000000000007 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.59 -58.01 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 53.439999999999998 109.306 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.16 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 62.450000000000003 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.9 t -113.65 -18.67 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 71.439999999999998 110.359 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 140' ' ' ILE . 3.0 m-85 -74.03 -173.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 64.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.4 m -143.99 -175.76 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 62.43 109.967 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.754 HG23 HG12 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -150.14 169.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 53.119999999999997 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' TYR . 2.2 m -149.01 105.78 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 110.394 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.882 HD21 ' CG1' ' A' ' 109' ' ' VAL . 3.0 tt -94.45 128.48 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.353 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.679 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 64.420000000000002 110.024 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.008 -0.368 . . . . 70.150000000000006 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.882 ' CG1' HD21 ' A' ' 100' ' ' LEU . 16.2 t -145.66 155.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 73.420000000000002 109.239 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.538 ' HD1' ' HZ3' ' A' ' 62' ' ' LYS . 5.1 m-85 -146.5 151.87 38.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 75.430000000000007 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.825 ' CE1' HD12 ' A' ' 100' ' ' LEU . 12.4 m-85 -117.88 74.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 54.32 111.026 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 83.3 m-85 -64.02 113.89 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 71.150000000000006 111.019 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.754 HG12 HG23 ' A' ' 98' ' ' VAL . 2.4 mt -82.66 127.7 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 65.409999999999997 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 113' ' ' ILE . 3.2 m-80 -40.02 117.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 64.219999999999999 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 60' ' ' SER . 7.7 p-10 -136.73 12.4 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 74.109999999999999 109.253 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -60.16 -47.59 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 108.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.551 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -92.72 57.62 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.585 HG21 ' HB ' ' A' ' 58' ' ' VAL . 1.8 m -71.68 -45.57 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.5 110.403 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.32 -28.37 69.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 73.209999999999994 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.59 -11.7 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 55.119999999999997 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 0.8 OUTLIER -85.38 -63.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.430000000000007 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.581 HG22 HD13 ' A' ' 136' ' ' LEU . 2.8 t -93.89 -65.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 37.19 32.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 71.099999999999994 111.003 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 122' ' ' VAL . 94.8 p -82.85 -75.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 73.239999999999995 110.017 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.417 ' N ' ' OG ' ' A' ' 124' ' ' SER . 19.0 m-20 -157.13 135.97 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 63.32 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.797 HG13 HD13 ' A' ' 2' ' ' LEU . 20.8 t -63.09 -13.8 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 71.120000000000005 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.91 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.5 110.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.3 OUTLIER -111.4 46.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 72.230000000000004 109.604 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.417 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 3.4 t80 -78.62 -42.16 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.430000000000007 111.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.82 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.4 mm? -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.1 p -90.03 -50.74 5.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 75.329999999999998 110.383 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 12.2 ttt180 -66.11 -17.05 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.651 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 63.1 t90 -85.81 -62.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 108.058 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.82 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -52.59 -54.43 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 134' ' ' ILE . 47.7 t -56.76 -16.83 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 41.32 109.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.692 ' CD2' ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -92.43 -33.81 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 16.2 m-85 -94.15 -2.44 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.540000000000006 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.2 tp -88.14 -22.6 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 75.209999999999994 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.572 ' NH2' HG11 ' A' ' 146' ' ' VAL . 46.2 mtt-85 -68.5 -7.93 36.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 110.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.807 HG23 ' O ' ' A' ' 92' ' ' ASN . 13.5 mt -90.27 -10.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 73.299999999999997 109.294 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.41 -28.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 64.109999999999999 111.021 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.56 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.07 119.93 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 109.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.67 HD12 ' CG ' ' A' ' 92' ' ' ASN . 5.3 mt -98.68 2.72 47.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 72.129999999999995 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.43 -17.06 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.230000000000004 109.34 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 0.8 OUTLIER -105.87 109.34 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.319999999999993 110.958 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.572 HG11 ' NH2' ' A' ' 139' ' ' ARG . 0.0 OUTLIER -117.82 96.04 48.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 72.120000000000005 109.31 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.856 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 75.439999999999998 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.502 0.192 . . . . 74.450000000000003 110.983 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.047 HD13 HG13 ' A' ' 126' ' ' VAL . 33.3 tp -50.68 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 53.210000000000001 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -54.11 166.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 62.420000000000002 110.392 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -71.36 -44.93 13.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.109999999999999 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -11.57 21.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 75.299999999999997 111.019 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -88.74 -36.03 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 110.334 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.902 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -84.29 -20.25 32.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 111.023 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 17.7 m-20 -79.27 -16.51 56.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 64.219999999999999 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -72.35 -23.87 61.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 74.25 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.4 mt-30 -111.56 15.7 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -62.77 -48.1 86.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 71.219999999999999 110.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.6 m-20 -90.91 -36.6 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 53.310000000000002 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.739 HG13 HG12 ' A' ' 134' ' ' ILE . 24.5 t -66.56 -54.59 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 72.510000000000005 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.934 ' O ' HG23 ' A' ' 19' ' ' THR . 9.8 ptt180 -63.5 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -51.21 -44.07 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 63.329999999999998 109.976 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -87.23 -30.9 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 72.010000000000005 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.832 ' N ' HD12 ' A' ' 17' ' ' LEU . 7.3 tp -57.84 -19.99 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 15' ' ' ARG . 82.2 p -63.79 -11.77 29.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.010000000000005 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -78.51 -26.8 45.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 71.140000000000001 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.787 ' CH2' HG11 ' A' ' 38' ' ' VAL . 4.6 t90 -59.42 134.46 57.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 71.519999999999996 108.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.94 -10.26 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 63.020000000000003 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 18.4 mmmt -81.75 -26.25 34.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 74.310000000000002 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG23 ' CE3' ' A' ' 21' ' ' TRP . 87.1 t -69.38 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 109.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -112.32 -37.57 4.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 64.5 110.287 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -127.13 136.12 51.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 51.219999999999999 110.282 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.532 HD13 HD23 ' A' ' 36' ' ' LEU . 2.3 mm -119.57 106.14 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 73.319999999999993 109.268 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.493 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.0 tt0 -129.67 135.58 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.58 ' HA ' HD23 ' A' ' 34' ' ' LEU . 15.2 p-10 -96.74 164.0 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 65.319999999999993 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.6 m -138.71 168.34 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 63.420000000000002 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -91.7 37.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 62.039999999999999 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -177.34 36.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 60.439999999999998 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.87 -124.22 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 71.129999999999995 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -162.94 149.33 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 41.229999999999997 109.307 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.7 tm0? -130.04 115.26 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 52.509999999999998 110.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.794 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -123.9 172.17 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 109.298 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.719 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -131.6 96.69 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.099999999999994 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.929 ' O ' HD22 ' A' ' 45' ' ' LEU . 2.8 t -85.13 148.62 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 73.329999999999998 109.27 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.19 79.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.249 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.04 HD13 HD12 ' A' ' 90' ' ' ILE . 14.4 mt -51.48 -45.93 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 60.530000000000001 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -136.51 158.89 43.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 71.200000000000003 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -61.45 -13.34 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 75.299999999999997 110.375 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.0 12.61 6.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 63.409999999999997 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 66' ' ' TRP . 62.7 m -129.09 156.94 43.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 73.019999999999996 110.387 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 38' ' ' VAL . 2.2 tm? -136.24 143.82 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.409999999999997 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm? -128.27 104.99 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 55.229999999999997 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 0.9 OUTLIER -90.53 121.78 32.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 73.230000000000004 110.292 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.766 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 0.4 OUTLIER -108.79 128.42 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 72.299999999999997 109.36 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 3.9 m170 -124.39 104.04 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 109.595 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 13.8 tt -85.12 143.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.200000000000003 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 14.4 p90 -154.8 -178.49 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.040000000000006 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.617 ' CG ' HD23 ' A' ' 4' ' ' LEU . 32.6 t80 -98.36 143.14 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 111.008 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' HIS . 17.2 t0 -113.94 82.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 73.140000000000001 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.491 ' CE1' ' CD2' ' A' ' 52' ' ' TYR . 50.3 m-70 -55.96 -18.81 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.626 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 56' ' ' TYR . 92.2 t -57.01 -43.61 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.409999999999997 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 55' ' ' VAL . 14.9 m-85 -122.56 3.11 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 75.340000000000003 110.979 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 32.6 m-70 60.21 49.09 7.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 73.140000000000001 109.612 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.662 ' HB ' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -150.24 164.03 22.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 71.230000000000004 109.318 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 147.46 33.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 73.409999999999997 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 10.3 t -128.71 179.92 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.983 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 5.4 mt -134.83 143.01 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 0.5 OUTLIER -155.42 118.45 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 75.540000000000006 109.29 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 21.2 p90 -134.27 171.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.329999999999998 110.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 13.8 mtm180 -140.78 124.9 17.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 110.275 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 79' ' ' LEU . 72.3 mt -67.0 146.92 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 74.030000000000001 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.612 ' O ' HG23 ' A' ' 44' ' ' THR . 86.0 m95 -139.98 154.11 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 108.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.818 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.55 97.66 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 74.230000000000004 110.019 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -66.87 123.71 20.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 63.119999999999997 109.312 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.65 109.43 16.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 34.83 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.420000000000002 110.425 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -42.89 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 65.230000000000004 110.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.9 mt-10 -105.81 -11.57 16.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 71.239999999999995 110.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.77 52.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -112.8 -3.47 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 44.310000000000002 109.268 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t 70.75 41.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 110.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.834 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -80.03 175.02 11.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 31.23 110.023 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.6 pp -169.33 162.92 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 60.140000000000001 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.82 134.5 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 110.27 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.928 HD21 ' HB ' ' A' ' 109' ' ' VAL . 7.3 tp -55.12 125.32 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 75.150000000000006 109.357 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.818 HD11 ' HB2' ' A' ' 67' ' ' SER . 30.1 mt -90.42 142.66 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 71.099999999999994 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -137.04 96.26 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.239999999999995 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -129.86 167.17 18.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.304 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -65.3 -171.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 70.310000000000002 110.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' ARG . 67.4 m-20 -73.12 -36.43 66.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 51.219999999999999 109.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -48.26 -42.24 30.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 109.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.829 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.3 mt-10 -82.55 -45.23 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 73.239999999999995 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.21 -20.06 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 73.400000000000006 109.273 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.472 ' N ' HD13 ' A' ' 87' ' ' LEU . 1.9 tmt_? -89.54 -20.51 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 64.030000000000001 110.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -59.73 -15.99 24.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 110.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.04 HD12 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -123.77 -47.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 74.510000000000005 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.69 HD12 HD21 ' A' ' 87' ' ' LEU . 3.2 mt -79.34 173.24 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 45.140000000000001 109.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.751 ' CG ' HD12 ' A' ' 143' ' ' LEU . 64.7 m-80 -136.48 106.07 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.439999999999998 109.262 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.81 -58.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.340000000000003 109.252 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.96 -81.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 45.039999999999999 111.04 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.9 t -113.59 -20.76 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 60.119999999999997 110.373 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.36 -176.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.540000000000006 110.965 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -144.88 160.0 41.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 62.439999999999998 109.965 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 99' ' ' THR . 8.1 p -135.27 168.53 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.040000000000006 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.447 ' H ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -141.99 109.53 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 51.130000000000003 110.424 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.847 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -90.37 126.3 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 52.340000000000003 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.526 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.8 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 41.329999999999998 109.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.98 -0.378 . . . . 55.149999999999999 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.928 ' HB ' HD21 ' A' ' 79' ' ' LEU . 85.1 t -146.13 161.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 55.340000000000003 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 109' ' ' VAL . 1.5 m-85 -153.29 179.55 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.209999999999994 110.998 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.847 ' CE1' HD12 ' A' ' 100' ' ' LEU . 41.4 m-85 -137.67 81.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.549999999999997 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.569 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 80.8 m-85 -70.84 108.54 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 53.240000000000002 111.03 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.442 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.9 mt -69.49 146.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 73.540000000000006 109.323 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.527 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -66.92 110.32 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.308 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 32.9 t30 -129.73 38.06 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 65.120000000000005 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.09 -45.7 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 62.420000000000002 108.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -95.3 61.83 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 73.409999999999997 109.312 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.662 HG21 ' HB ' ' A' ' 58' ' ' VAL . 97.3 m -65.82 -60.21 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 70.010000000000005 110.387 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.54 -12.1 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 63.25 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 11.1 m-20 -84.8 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.450000000000003 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 129' ' ' TYR . 7.0 p -104.96 -51.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.507 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 37.41 38.33 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -73.93 -80.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 62.43 109.975 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -161.27 138.92 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.450000000000003 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.047 HG13 HD13 ' A' ' 2' ' ' LEU . 41.1 t -62.82 -14.01 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.409999999999997 109.331 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.32 -67.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 61.25 110.279 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -116.65 46.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.589 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.558 ' CE1' HG13 ' A' ' 122' ' ' VAL . 3.7 t80 -75.24 -37.46 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.902 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.6 mm? -58.44 -28.81 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 75.450000000000003 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 134' ' ' ILE . 18.3 p -88.53 -49.34 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 64.109999999999999 110.433 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -66.25 -16.86 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 73.239999999999995 110.356 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.646 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 69.9 t90 -87.08 -60.92 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.948 -1.13 . . . . 73.030000000000001 107.948 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.83 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -54.18 -54.42 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 61.049999999999997 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 134' ' ' ILE . 41.3 t -57.43 -15.62 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 61.299999999999997 110.011 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -93.89 -34.67 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 9.0 m-85 -94.35 -2.24 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 71.030000000000001 111.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.8 tp -84.22 -29.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 65.129999999999995 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 139' ' ' ARG . 14.5 mtm105 -60.11 -30.11 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.219999999999999 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 92' ' ' ASN . 11.2 mt -67.75 -9.37 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 55.439999999999998 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 98.0 m-85 -119.05 -31.66 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.57 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 1.1 p30 -148.51 107.46 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 64.450000000000003 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.751 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.4 mt -86.25 3.25 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 73.340000000000003 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.62 -12.08 17.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 18.3 t80 -121.02 108.92 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.230000000000004 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.13 94.32 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 72.200000000000003 109.339 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.79 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 73.099999999999994 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' HG23 ' A' ' 3' ' ' THR . 11.9 ptm . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.465 0.174 . . . . 65.010000000000005 110.974 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.821 HD12 HG13 ' A' ' 126' ' ' VAL . 5.8 tp -50.25 98.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 62.210000000000001 109.294 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.48 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 71.0 p -73.18 -167.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 54.100000000000001 110.426 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.64 -46.06 4.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.283 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.98 -7.73 19.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 72.049999999999997 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.53 -37.98 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 70.319999999999993 110.276 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.959 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.63 -35.89 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 110.977 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.569 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.1 t-20 -65.09 -17.91 64.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -73.21 -22.98 60.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.25 110.265 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 3.5 mt-30 -118.37 18.87 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 110.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.959 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -62.57 -47.84 87.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 70.549999999999997 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.17 9.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 72.409999999999997 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.5 m-20 -90.83 -33.64 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.510000000000005 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 130' ' ' LEU . 16.3 t -70.22 -54.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 63.219999999999999 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.877 ' O ' HG23 ' A' ' 19' ' ' THR . 19.6 ptt180 -64.58 -34.74 78.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -52.53 -44.0 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 44.420000000000002 110.015 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.938 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.2 pp -86.57 -31.91 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 62.329999999999998 109.259 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.826 ' N ' HD12 ' A' ' 17' ' ' LEU . 5.8 tp -56.37 -23.07 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.877 HG23 ' O ' ' A' ' 15' ' ' ARG . 68.8 p -57.08 -16.82 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 64.120000000000005 110.415 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -74.24 -30.47 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.9 t90 -55.64 128.13 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.540000000000006 108.032 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.97 -11.39 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 55.299999999999997 109.28 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -82.43 -16.06 50.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 63.109999999999999 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 51.8 t -78.63 123.46 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 62.310000000000002 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.02 -25.92 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 62.240000000000002 110.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -125.51 132.94 52.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.25 110.334 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mm -126.2 109.06 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.310000000000002 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.2 tt0 -143.57 146.17 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 64.340000000000003 110.247 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.571 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.0 p-10 -108.07 157.08 18.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 64.019999999999996 109.263 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 33' ' ' GLY . 1.3 m -131.66 175.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 51.030000000000001 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.45 92.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 110.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 74.03 49.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 75.230000000000004 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 174.55 -174.62 46.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 53.539999999999999 111.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.26 144.71 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 54.43 109.319 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -129.38 111.8 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 74.519999999999996 110.274 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.747 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.01 168.99 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.78 95.12 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.428 HG11 ' CH2' ' A' ' 21' ' ' TRP . 5.5 t -82.29 123.93 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 73.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -85.42 79.67 9.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 65.140000000000001 110.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.927 HD13 HD12 ' A' ' 90' ' ' ILE . 16.1 mt -55.62 -37.1 67.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 72.120000000000005 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 18.2 ttmt -145.32 157.84 43.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 73.540000000000006 109.276 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.14 -15.65 15.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.099999999999994 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -130.01 20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 52.520000000000003 109.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 66' ' ' TRP . 34.6 m -133.72 151.84 51.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 110.396 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.958 HD11 ' HG3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -135.24 139.32 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 62.509999999999998 109.261 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.692 ' HG ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -125.93 107.39 10.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 51.340000000000003 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.958 ' HG3' HD11 ' A' ' 45' ' ' LEU . 23.9 mt-10 -85.89 107.12 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.340000000000003 110.272 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.3 tt -96.19 140.8 30.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.040000000000006 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -134.96 126.57 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.643 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 6.9 tt -105.93 127.07 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.349999999999994 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -138.89 172.53 12.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 63.439999999999998 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CG ' HD22 ' A' ' 4' ' ' LEU . 61.5 t80 -102.32 150.08 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 110.973 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.13 111.19 20.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 64.040000000000006 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -81.04 3.74 22.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 71.120000000000005 109.606 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -85.95 -40.36 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 64.219999999999999 109.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.04 -7.67 9.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 64.519999999999996 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 64.7 51.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.579 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.558 HG11 ' HB ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -148.33 165.3 18.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 109.337 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.3 32.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 61.039999999999999 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 13.1 t -124.38 171.4 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 73.109999999999999 110.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.566 HD11 ' CZ2' ' A' ' 133' ' ' TRP . 13.6 mt -138.54 137.54 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.409999999999997 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 25.8 ttpt -155.58 123.4 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 6.7 p90 -136.45 166.73 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 73.010000000000005 110.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.635 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 5.0 mtp180 -132.51 124.85 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 73.329999999999998 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.97 HD11 HD23 ' A' ' 87' ' ' LEU . 64.7 mt -72.85 138.66 46.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 71.219999999999999 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.635 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 89.4 m95 -127.93 171.21 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 55.25 108.03 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.594 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -142.54 97.47 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 40.030000000000001 109.998 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 122.68 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 73.239999999999995 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.4 113.34 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 75.349999999999994 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 29.79 5.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 60.43 110.378 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.44 -42.08 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 110.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.9 mt-10 -105.31 -14.95 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 63.219999999999999 110.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.4 t70 81.74 48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 74.030000000000001 109.278 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.814 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.96 -2.12 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 73.040000000000006 109.289 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t 73.56 43.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 35.219999999999999 110.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.814 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -78.14 176.75 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 63.219999999999999 109.991 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.8 pp -169.39 164.86 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 64.209999999999994 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' SER . 45.8 ttp85 -155.28 158.41 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.310000000000002 110.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 64' ' ' ARG . 8.7 tp -73.13 130.55 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 62.439999999999998 109.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 67' ' ' SER . 21.4 mt -95.19 162.64 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 72.219999999999999 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -155.18 104.84 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 71.140000000000001 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -134.43 167.07 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.349999999999994 109.278 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -71.07 -168.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -76.71 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 64.239999999999995 109.266 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 t -51.16 -32.74 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 63.329999999999998 110.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.515 ' HB3' HD12 ' A' ' 82' ' ' LEU . 6.5 mt-10 -82.54 -29.61 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 110.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.019 HD11 HD12 ' A' ' 91' ' ' LEU . 2.3 tm? -83.24 -15.16 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 61.020000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -81.09 -19.13 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 110.271 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -65.4 -22.19 66.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 109.995 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.927 HD12 HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -112.5 -34.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 63.020000000000003 109.272 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.019 HD12 HD11 ' A' ' 87' ' ' LEU . 19.1 mt -95.27 -179.67 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 52.520000000000003 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.9 m-80 -144.69 101.32 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 53.350000000000001 109.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.97 -58.38 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.510000000000005 109.334 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.62 -81.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -118.75 -8.25 10.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 110.396 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.0 -171.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 62.100000000000001 110.947 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -149.23 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.310000000000002 109.986 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.709 HG23 ' HA ' ' A' ' 113' ' ' ILE . 10.4 p -153.73 160.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 41.109999999999999 109.293 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -136.89 132.24 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 64.310000000000002 110.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.814 HD12 ' CE1' ' A' ' 111' ' ' TYR . 6.4 tt -92.2 136.54 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.716 ' N ' HD23 ' A' ' 100' ' ' LEU . 23.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 34.039999999999999 109.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.995 -0.372 . . . . 72.319999999999993 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 79' ' ' LEU . 2.9 p -134.74 163.1 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.140000000000001 109.276 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.463 ' N ' HG22 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -160.59 175.78 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.510000000000005 110.985 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CE1' HD12 ' A' ' 100' ' ' LEU . 34.0 m-85 -121.92 157.76 30.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.010000000000005 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 34.2 m-85 -136.67 103.3 5.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 111.057 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.709 ' HA ' HG23 ' A' ' 98' ' ' VAL . 4.9 mt -66.63 132.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 71.439999999999998 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.401 ' N ' HD22 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -51.06 110.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.261 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -141.67 28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 63.140000000000001 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.68 -41.86 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 45.43 108.298 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.896 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 61.4 m-20 -115.16 84.67 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 75.299999999999997 109.338 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.859 HG22 ' OH ' ' A' ' 129' ' ' TYR . 21.1 m -78.88 -57.14 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 110.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.39 -26.12 64.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.25 109.341 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.896 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.79 -15.36 37.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 21.100000000000001 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 20.3 m-20 -94.53 -69.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.430000000000007 109.253 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.778 ' HB ' HD13 ' A' ' 136' ' ' LEU . 8.0 p -82.56 -54.36 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 85.26 -19.9 20.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 42.43 111.001 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.588 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 12.4 t -38.09 142.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.8 . . . . 74.239999999999995 109.98 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.79 -178.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 2' ' ' LEU . 16.5 t -84.33 -8.54 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.319999999999993 109.318 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.41 -67.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.319999999999993 110.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.08 47.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.628 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.859 ' OH ' HG22 ' A' ' 118' ' ' THR . 2.1 t80 -77.04 -47.9 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.209999999999994 111.018 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.3 mm? -67.92 -21.39 65.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.150000000000006 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 134' ' ' ILE . 7.4 p -89.72 -36.6 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 110.391 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.72 -16.51 36.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.450000000000003 110.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.566 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 80.4 t90 -86.4 -39.3 16.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 108.033 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.769 HD13 ' CG1' ' A' ' 14' ' ' VAL . 9.6 tp -61.99 -47.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 35.109999999999999 109.29 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.474 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 46.5 t -72.82 -3.68 27.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.982 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.778 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.53 -44.22 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 72.140000000000001 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -85.99 -48.62 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 61.329999999999998 111.021 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.773 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.2 tp -51.26 -30.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 71.230000000000004 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 135' ' ' SER . 9.3 mtp180 -59.01 -34.51 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 71.519999999999996 110.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASN . 74.4 mt -64.59 -10.82 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 109.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.667 ' CE2' HD12 ' A' ' 48' ' ' LEU . 5.7 m-85 -116.9 -27.47 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 71.310000000000002 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -147.98 100.65 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 55.420000000000002 109.269 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 92' ' ' ASN . 6.1 mt -84.8 2.66 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 60.219999999999999 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -102.2 -25.84 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 34.409999999999997 109.266 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 4.2 t80 -99.52 104.88 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 71.239999999999995 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 96.63 36.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 62.43 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.938 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 53.310000000000002 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.473 0.178 . . . . 72.319999999999993 111.005 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.1 136.72 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 62.240000000000002 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.496 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 49.5 p -81.38 -174.02 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 62.119999999999997 110.401 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -77.58 -44.71 2.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 60.43 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -11.79 21.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 75.310000000000002 111.013 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 4.9 mm-40 -88.27 -33.64 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.540000000000006 110.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.999 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.97 -19.71 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.993 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 5.8 t-20 -76.11 -15.15 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -71.36 -25.46 62.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 61.329999999999998 110.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -111.92 15.34 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 54.439999999999998 110.296 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.657 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -62.91 -46.86 87.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 61.009999999999998 109.283 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.97 0.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 54.439999999999998 111.001 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.8 m-20 -91.68 -34.72 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 130' ' ' LEU . 4.0 t -71.67 -47.13 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 72.010000000000005 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.824 ' O ' HG23 ' A' ' 19' ' ' THR . 31.0 ptt180 -68.8 -18.63 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.340000000000003 110.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' OG1' ' A' ' 19' ' ' THR . 13.3 t -75.55 -37.52 59.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 147' ' ' PRO . 4.6 pp -88.62 -29.34 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 72.329999999999998 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 17' ' ' LEU . 8.8 mt -71.27 -28.18 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -61.97 -12.46 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 73.540000000000006 110.37 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.65 -20.97 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.439999999999998 109.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.503 ' CE3' HG23 ' A' ' 24' ' ' VAL . 1.4 t90 -48.71 130.55 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 108.046 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 -1.53 57.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 43.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -101.58 -26.29 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 72.140000000000001 109.306 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.503 HG23 ' CE3' ' A' ' 21' ' ' TRP . 15.9 t -62.25 134.09 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 54.240000000000002 109.276 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 22.2 tt0 -111.71 -31.87 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 63.299999999999997 110.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -125.91 143.5 51.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 61.420000000000002 110.283 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 27' ' ' ILE . 7.8 mm -129.49 103.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 61.409999999999997 109.272 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -128.39 136.36 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 64.340000000000003 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' HA ' HD23 ' A' ' 34' ' ' LEU . 11.7 p-10 -109.45 139.42 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 34' ' ' LEU . 26.5 m -109.98 169.69 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 63.219999999999999 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 6.8 tt0 -90.95 21.41 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 74.219999999999999 110.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -153.93 26.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 63.310000000000002 109.305 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 30' ' ' VAL . . . 145.57 -121.33 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 53.020000000000003 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.537 ' N ' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -164.55 148.17 9.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 64.25 109.338 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.473 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.2 tm0? -132.86 110.88 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 74.299999999999997 110.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.46 168.81 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 71.430000000000007 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 4.4 m-20 -127.99 95.45 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.010000000000005 109.257 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' HD22 ' A' ' 45' ' ' LEU . 2.2 t -88.06 148.55 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 73.200000000000003 109.332 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 17.3 tpp180 -106.1 78.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.046 ' CD1' HD12 ' A' ' 90' ' ' ILE . 11.8 mt -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 62.399999999999999 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.8 ttmt -144.97 157.37 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 54.520000000000003 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -58.9 -19.81 45.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.530000000000001 110.382 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.74 21.8 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 60.109999999999999 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 66' ' ' TRP . 13.6 m -139.01 141.66 38.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 55.350000000000001 110.376 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.598 ' C ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm? -124.23 129.38 50.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 73.099999999999994 109.278 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.848 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.5 tm? -108.92 98.4 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.130000000000003 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.9 tt0 -80.38 105.43 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 110.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 141' ' ' PHE . 1.8 tt -96.19 129.82 43.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -133.21 126.77 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 64.049999999999997 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 12.2 tt -103.86 140.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 73.299999999999997 109.349 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 39.4 p90 -153.82 139.49 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 111.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CB ' HD23 ' A' ' 4' ' ' LEU . 80.0 t80 -68.16 136.28 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 74.219999999999999 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.646 ' CG ' HG22 ' A' ' 55' ' ' VAL . 9.1 t0 -100.62 109.54 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 74.219999999999999 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -79.78 1.46 26.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 72.319999999999993 109.631 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.671 HG23 ' CD2' ' A' ' 56' ' ' TYR . 2.2 m -85.36 -35.31 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 109.263 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.671 ' CD2' HG23 ' A' ' 55' ' ' VAL . 42.1 m-85 -122.42 -3.59 8.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 111.012 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.29 23.75 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 70.140000000000001 109.613 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' HB ' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -127.93 161.89 53.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 44.32 109.345 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 149.16 36.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 64.540000000000006 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -123.49 174.73 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.006 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.855 HD12 ' CD1' ' A' ' 137' ' ' TYR . 20.3 mt -138.98 129.42 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 109.26 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -142.74 133.11 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 64.049999999999997 109.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 91' ' ' LEU . 31.5 p90 -144.35 157.33 44.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.420000000000002 111.027 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.8 mtm180 -127.88 122.54 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.109999999999999 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 79' ' ' LEU . 35.1 mt -66.83 147.44 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 64.310000000000002 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.67 ' O ' HG23 ' A' ' 44' ' ' THR . 86.8 m95 -140.57 154.36 46.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 73.349999999999994 107.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.52 ' HB2' HD21 ' A' ' 80' ' ' LEU . 6.2 t -126.15 97.35 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 110.063 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -66.42 120.52 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 62.140000000000001 109.279 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.26 112.51 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.030000000000001 109.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 32.97 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 73.349999999999994 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -42.7 -43.24 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.540000000000006 110.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.6 mt-10 -104.97 -13.77 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.439999999999998 110.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t0 81.85 50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.38 -8.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.540000000000006 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 80.09 42.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 109.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.81 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -75.37 -177.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 64.329999999999998 110.015 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.8 pp -174.49 163.46 3.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 74.340000000000003 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 130.97 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 65' ' ' LEU . 11.5 tp -56.69 134.36 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 67' ' ' SER . 72.8 mt -99.89 140.93 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 63.109999999999999 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.0 m -136.36 87.68 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 51.350000000000001 110.415 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -120.87 167.19 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.549999999999997 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 m -57.7 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 60.509999999999998 109.98 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -81.37 -27.84 34.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 109.304 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -64.26 -42.32 96.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 72.109999999999999 110.02 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . 3.7 mm-40 -72.92 -46.83 50.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 62.350000000000001 110.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.907 HD21 HD12 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -57.4 -44.05 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 71.319999999999993 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.509 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -54.95 -18.53 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 71.120000000000005 110.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 8.9 t -57.08 -20.21 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 40.240000000000002 110.026 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.046 HD12 ' CD1' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -118.64 -40.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 71.129999999999995 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.907 HD12 HD21 ' A' ' 87' ' ' LEU . 10.9 mt -86.49 178.37 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 109.307 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.792 ' O ' HG23 ' A' ' 140' ' ' ILE . 70.2 m-80 -140.1 105.1 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 65.239999999999995 109.254 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.98 -57.96 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 52.130000000000003 109.334 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.5 -81.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 23.140000000000001 110.972 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.8 t -118.23 12.14 13.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 0.771 . . . . 72.129999999999995 110.429 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -103.85 -177.03 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 70.030000000000001 111.047 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.4 t -145.81 166.66 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 63.100000000000001 110.019 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 99' ' ' THR . 6.7 p -140.7 166.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 63.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' VAL . 5.5 m -135.06 107.18 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 73.049999999999997 110.38 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.974 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -97.42 123.72 41.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.010000000000005 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.449 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.8 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 73.319999999999993 110.021 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.009 -0.367 . . . . 75.25 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.649 ' HB ' HD21 ' A' ' 79' ' ' LEU . 18.0 t -146.46 153.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 70.010000000000005 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -146.75 168.06 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 75.439999999999998 110.994 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.974 ' CE1' HD12 ' A' ' 100' ' ' LEU . 39.0 m-85 -123.24 78.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 70.319999999999993 110.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.555 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 87.8 m-85 -69.76 100.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 75.519999999999996 110.989 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -54.11 143.36 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 73.019999999999996 109.305 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.7 105.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 62.140000000000001 109.306 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 14.7 t30 -126.55 65.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 74.310000000000002 109.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 12.6 t -103.29 -55.54 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 62.009999999999998 108.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.8 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 20.8 p-10 -90.55 61.23 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.32 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.497 HG21 ' HB ' ' A' ' 58' ' ' VAL . 2.5 m -67.13 -49.56 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 55.039999999999999 110.425 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -67.45 -30.72 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.8 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.6 -10.76 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 32.539999999999999 109.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 6.3 m-20 -84.44 -69.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.927 ' HB ' HD13 ' A' ' 136' ' ' LEU . 3.1 p -99.07 -50.33 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 42.530000000000001 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 35.95 61.6 0.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -76.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 62.43 109.972 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.06 140.35 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 71.030000000000001 109.289 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.423 HG13 HD12 ' A' ' 2' ' ' LEU . 48.7 t -62.91 -21.35 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 73.25 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -48.15 -67.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 110.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -127.6 47.0 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.230000000000004 109.584 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.533 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 5.8 t80 -65.44 -27.6 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.310000000000002 111.033 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.999 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -61.71 -30.48 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 74.299999999999997 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.3 p -83.67 -46.25 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 63.109999999999999 110.427 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.77 ' O ' HG21 ' A' ' 122' ' ' VAL . 2.7 tpt180 -71.99 -17.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 72.3 t90 -86.79 -58.97 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 75.209999999999994 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.636 HG12 HG13 ' A' ' 14' ' ' VAL . 9.2 tp -55.53 -53.98 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 73.329999999999998 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.509 ' N ' HG23 ' A' ' 134' ' ' ILE . 41.6 t -54.06 -18.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 74.239999999999995 109.991 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.927 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.2 OUTLIER -90.75 -33.77 15.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 70.310000000000002 109.301 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.855 ' CD1' HD12 ' A' ' 61' ' ' ILE . 14.6 m-85 -94.26 -2.54 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 110.975 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 145' ' ' PHE . 2.9 tp -83.27 -27.0 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 71.109999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -69.27 -5.75 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 45.109999999999999 110.31 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 92' ' ' ASN . 6.0 mt -92.92 -10.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 63.240000000000002 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.509 ' CE1' HD12 ' A' ' 48' ' ' LEU . 94.9 m-85 -115.96 -39.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 71.510000000000005 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.465 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -147.89 113.75 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 75.209999999999994 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.7 mt -85.94 3.38 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.268 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.24 -15.74 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 138' ' ' ILE . 42.1 t80 -76.73 112.25 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 72.120000000000005 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.85 102.71 46.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 72.120000000000005 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.852 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 71.209999999999994 111.044 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.475 0.178 . . . . 73.310000000000002 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.804 HD13 HG13 ' A' ' 126' ' ' VAL . 21.2 tp -50.63 100.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.340000000000003 109.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.6 p -64.88 -172.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 110.406 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.51 -45.57 3.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 75.129999999999995 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.92 -11.05 21.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 72.319999999999993 111.048 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HB3' HD12 ' A' ' 2' ' ' LEU . 30.8 mm-40 -88.78 -32.92 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.109999999999999 110.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.925 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.28 -20.32 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 75.319999999999993 111.007 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 12.4 m-20 -79.75 -15.25 57.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 109.256 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 71.109999999999999 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -114.5 15.84 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.439999999999998 110.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.93 -47.46 98.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.219999999999999 109.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 63.240000000000002 111.001 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.2 m-20 -93.54 -35.65 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 62.530000000000001 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.752 HG13 HG12 ' A' ' 134' ' ' ILE . 39.2 t -65.4 -50.77 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 60.43 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 19' ' ' THR . 8.2 ptm180 -65.25 -29.65 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 72.329999999999998 110.322 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -59.4 -41.99 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.984 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -85.84 -32.44 21.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 53.119999999999997 109.335 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.917 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.4 tp -55.99 -23.51 33.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.409999999999997 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.875 HG23 ' O ' ' A' ' 15' ' ' ARG . 81.7 p -57.85 -29.17 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 54.530000000000001 110.417 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 57.1 mmtt -58.49 -21.13 50.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.993 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -71.09 110.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 73.340000000000003 107.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.33 -13.25 58.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 71.010000000000005 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.52 -26.25 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 72.200000000000003 109.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' ' 21' ' ' TRP . 41.4 t -61.5 138.68 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.259 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' CD ' ' NH2' ' A' ' 39' ' ' ARG . 13.0 tt0 -115.92 -34.75 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 110.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -124.99 155.68 39.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 110.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.59 HD13 HD23 ' A' ' 36' ' ' LEU . 2.2 mm -138.49 106.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 63.240000000000002 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.72 151.45 51.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 110.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.92 151.15 30.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.099999999999994 109.333 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.469 HG22 ' CA ' ' A' ' 34' ' ' LEU . 6.3 m -128.48 157.43 40.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 72.409999999999997 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 8.7 tt0 -59.09 92.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.120000000000005 110.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER 81.98 58.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 75.010000000000005 109.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.37 -160.91 30.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 111.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CA ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -158.98 154.77 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 72.310000000000002 109.272 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.459 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -139.31 114.36 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.340000000000003 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.82 HD21 HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -122.93 169.05 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 71.329999999999998 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.5 95.57 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 51.149999999999999 109.277 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.993 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 59.6 t -86.66 112.37 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 72.219999999999999 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' CD ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -82.4 94.51 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 63.240000000000002 110.297 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 46' ' ' LEU . 9.0 mp -76.98 -40.97 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.219999999999999 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -136.79 156.81 48.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 m -59.7 -15.73 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.349999999999994 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -131.38 22.0 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.341 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 10.5 m -139.74 138.11 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 61.340000000000003 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.986 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -131.03 133.92 46.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.986 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.6 tm? -114.46 85.98 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.338 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.2 tp10 -67.3 107.53 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 71.209999999999994 110.274 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 HG23 ' A' ' 61' ' ' ILE . 2.1 tm? -90.64 128.68 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 55.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.552 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 1.6 m170 -129.46 116.71 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 64.099999999999994 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -94.49 131.52 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.420000000000002 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.451 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 7.3 p90 -147.87 141.03 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.685 ' CD1' HD23 ' A' ' 4' ' ' LEU . 29.7 t80 -86.4 141.25 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 74.430000000000007 111.044 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.744 ' OD1' HG23 ' A' ' 55' ' ' VAL . 54.9 t0 -114.47 127.78 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.329999999999998 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -83.47 3.81 30.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 64.420000000000002 109.62 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.744 HG23 ' OD1' ' A' ' 53' ' ' ASP . 55.2 t -70.24 -45.16 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.239999999999995 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD2' HG12 ' A' ' 55' ' ' VAL . 61.0 m-85 -119.55 -0.23 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 111.009 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.407 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.6 m-70 64.94 48.5 2.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 109.554 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.565 HG11 ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.33 165.2 18.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 61.409999999999997 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 7' ' ' TYR . 18.6 Cg_endo -74.95 155.1 43.13 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 74.019999999999996 111.041 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.451 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 29.7 t -136.65 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 51.539999999999999 110.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD2' ' A' ' 137' ' ' TYR . 1.4 mp -130.36 148.09 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 16.9 ttpt -155.17 119.04 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 61.539999999999999 109.338 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.676 ' CD1' HD21 ' A' ' 46' ' ' LEU . 52.1 p90 -136.45 171.11 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.129999999999995 111.025 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.834 ' HB3' HD11 ' A' ' 79' ' ' LEU . 18.3 mtm180 -143.0 128.05 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.022 HD11 HD23 ' A' ' 87' ' ' LEU . 64.3 mt -65.96 137.98 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.671 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 91.4 m95 -133.52 150.85 51.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.973 -1.121 . . . . 70.549999999999997 107.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.49 ' HB3' HD11 ' A' ' 80' ' ' LEU . 60.4 p -125.23 97.6 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 109.992 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -68.06 122.5 18.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 64.299999999999997 109.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -117.67 113.75 22.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 109.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.19 34.01 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 70.310000000000002 110.387 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -55.64 -36.19 66.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 64.219999999999999 110.256 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.657 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.56 -1.98 20.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 75.219999999999999 110.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.33 47.85 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 44.530000000000001 109.346 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.734 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.08 -8.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 51.149999999999999 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.8 t 79.17 50.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.150000000000006 110.033 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.633 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.93 -176.17 5.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.430000000000007 110.009 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.9 pp -172.75 167.15 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 75.519999999999996 109.275 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -155.18 133.36 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 71.450000000000003 110.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 65' ' ' LEU . 21.3 tp -60.99 132.8 55.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 72.099999999999994 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 67' ' ' SER . 64.1 mt -98.71 162.67 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 64.340000000000003 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.4 p -153.04 110.97 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 75.349999999999994 110.412 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -138.57 167.0 22.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 55.439999999999998 109.291 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -71.04 -171.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 72.219999999999999 110.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' ARG . 36.1 m-20 -71.46 -55.52 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 52.210000000000001 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -50.62 -35.02 28.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 55.43 109.985 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.31 -32.47 26.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 110.273 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.022 HD23 HD11 ' A' ' 65' ' ' LEU . 1.3 tm? -77.91 -13.0 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 71.010000000000005 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -90.05 -19.57 24.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 71.140000000000001 110.323 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -53.34 -20.48 4.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 63.240000000000002 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.02 -43.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 71.209999999999994 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 87' ' ' LEU . 4.5 mt -80.99 160.52 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 62.240000000000002 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 140' ' ' ILE . 64.8 m-80 -122.79 100.71 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 61.039999999999999 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -87.36 -57.92 2.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 71.299999999999997 109.272 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.89 -82.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 70.310000000000002 111.058 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.5 t -112.72 -22.41 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 71.120000000000005 110.458 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.667 ' HZ ' HD13 ' A' ' 136' ' ' LEU . 9.8 m-85 -73.99 166.3 23.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 71.25 110.986 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -127.63 177.55 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 99' ' ' THR . 2.9 t -149.32 163.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.450000000000003 109.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.509 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 2.5 m -147.62 108.85 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 51.009999999999998 110.405 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.894 HD11 HG12 ' A' ' 109' ' ' VAL . 14.4 tp -95.13 121.16 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 109.994 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.942 -0.392 . . . . 53.32 109.942 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.894 HG12 HD11 ' A' ' 100' ' ' LEU . 2.3 t -137.63 140.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 62.329999999999998 109.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.869 ' O ' HD12 ' A' ' 100' ' ' LEU . 2.6 m-85 -126.92 145.11 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 73.200000000000003 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.724 ' CD1' HD13 ' A' ' 100' ' ' LEU . 26.9 m-85 -105.84 80.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 81.5 m-85 -68.74 116.05 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 110.977 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 137' ' ' TYR . 5.3 mt -74.24 132.79 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.409999999999997 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.96 113.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.34 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 8.7 t30 -142.3 93.84 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.340000000000003 109.309 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.42 -55.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 63.539999999999999 108.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 7.1 m-20 -88.36 56.96 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 44.119999999999997 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.565 ' CG2' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -67.46 -32.87 74.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 63.039999999999999 110.389 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.23 -34.43 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.040000000000006 109.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.74 -10.56 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.420000000000002 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' ASP . 19.8 m-20 -83.67 -69.82 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 73.519999999999996 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 129' ' ' TYR . 9.8 p -95.38 -53.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.536 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 35.31 44.2 0.56 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 71.519999999999996 111.015 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 m -81.32 -78.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 73.129999999999995 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -162.85 139.31 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 70.109999999999999 109.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.804 HG13 HD13 ' A' ' 2' ' ' LEU . 11.9 t -62.63 -14.16 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 109.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.71 -67.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.200000000000003 110.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -118.09 47.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 72.510000000000005 109.602 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 3.8 t80 -75.07 -35.88 61.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 52.130000000000003 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.925 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -66.31 -26.8 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.518 ' HA ' HD21 ' A' ' 17' ' ' LEU . 70.1 p -83.44 -39.72 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 110.377 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.455 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -83.55 -16.16 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 71.25 110.335 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.573 ' CH2' ' CD1' ' A' ' 61' ' ' ILE . 38.0 t90 -86.15 -29.47 23.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 61.25 108.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.752 HG12 HG13 ' A' ' 14' ' ' VAL . 9.1 tp -87.39 -45.38 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 73.049999999999997 109.341 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.497 ' O ' HG22 ' A' ' 138' ' ' ILE . 48.3 t -60.73 -28.13 68.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 72.439999999999998 110.008 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.805 ' C ' HD12 ' A' ' 136' ' ' LEU . 0.6 OUTLIER -81.5 -27.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 63.530000000000001 109.314 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -94.77 -12.19 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 70.439999999999998 110.984 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.544 HG12 ' CE2' ' A' ' 145' ' ' PHE . 3.7 tp -81.35 -17.73 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 72.319999999999993 109.352 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -75.32 -10.73 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 64.219999999999999 110.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.76 HG23 ' O ' ' A' ' 92' ' ' ASN . 21.6 mt -89.49 -10.48 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 97.9 m-85 -118.28 -29.91 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.510000000000005 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.553 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.2 121.08 8.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.34 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.641 HD12 ' ND2' ' A' ' 92' ' ' ASN . 4.2 mt -98.87 2.74 46.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 72.109999999999999 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -106.63 -16.87 14.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 72.319999999999993 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -107.8 111.03 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 64.329999999999998 110.999 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.29 102.32 45.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 73.109999999999999 109.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.694 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 61.329999999999998 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.535 0.207 . . . . 71.239999999999995 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 7' ' ' TYR . 1.5 tp -50.6 108.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.310000000000002 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.493 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.7 p -76.22 -166.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.209999999999994 110.385 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.0 -45.64 3.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 62.210000000000001 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -75.0 -8.45 20.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 74.340000000000003 110.99 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HB3' HD12 ' A' ' 2' ' ' LEU . 4.9 mm-40 -88.16 -37.85 15.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 52.509999999999998 110.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.949 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.94 -31.28 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 111.015 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.525 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.2 t-20 -67.28 -15.55 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 62.43 109.277 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -76.15 -36.25 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 72.230000000000004 110.259 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.92 11.25 39.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 110.304 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.688 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -60.84 -46.45 96.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 73.409999999999997 109.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 35.119999999999997 110.969 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.0 m-20 -90.46 -34.49 15.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 61.030000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.613 HG13 HG12 ' A' ' 134' ' ' ILE . 54.7 t -69.52 -50.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.737 ' HD2' HD21 ' A' ' 34' ' ' LEU . 10.0 ptm180 -66.42 -18.83 65.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 110.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -75.59 -36.34 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 73.319999999999993 109.979 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.932 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -87.03 -32.29 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 71.010000000000005 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.932 ' N ' HD12 ' A' ' 17' ' ' LEU . 11.4 mt -59.33 -22.07 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 51.32 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 15' ' ' ARG . 59.9 p -51.56 -30.61 21.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 61.340000000000003 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.19 -33.79 76.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 43.43 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 1.135 ' CH2' HG21 ' A' ' 38' ' ' VAL . 4.3 t90 -52.19 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 107.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.14 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 73.230000000000004 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.607 ' HB2' HG13 ' A' ' 38' ' ' VAL . 2.0 mtpp -70.98 -20.65 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.508 HG23 ' CD2' ' A' ' 21' ' ' TRP . 10.5 t -75.46 125.41 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 72.549999999999997 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.23 -38.1 7.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.140000000000001 110.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -125.47 131.85 52.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 74.209999999999994 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.519 HD13 HD22 ' A' ' 36' ' ' LEU . 2.5 mm -114.72 103.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.140000000000001 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.12 155.38 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 110.298 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.429 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.9 t70 -116.01 156.08 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.491 HG22 ' C ' ' A' ' 33' ' ' GLY . 17.3 m -132.67 175.21 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 64.340000000000003 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 13.3 mt-30 -72.01 93.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 73.040000000000006 110.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 80.33 44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.450000000000003 109.335 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' C ' HG22 ' A' ' 30' ' ' VAL . . . 173.94 -171.18 44.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 62.039999999999999 111.036 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.737 HD21 ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -148.13 137.95 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 0.814 . . . . 74.420000000000002 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.439 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -112.79 112.66 24.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 110.29 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.718 ' CD1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -116.01 145.56 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 73.400000000000006 109.311 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.818 ' CG ' HD21 ' A' ' 45' ' ' LEU . 1.1 t0 -110.64 100.54 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.530000000000001 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.135 HG21 ' CH2' ' A' ' 21' ' ' TRP . 23.7 t -91.11 139.46 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 60.149999999999999 109.306 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.675 ' NH1' HD13 ' A' ' 68' ' ' LEU . 4.4 tpt180 -103.09 90.72 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.109999999999999 110.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 46' ' ' LEU . 10.7 mp -70.76 -41.01 72.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 63.100000000000001 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -138.63 155.25 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 61.140000000000001 109.313 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 39' ' ' ARG . 1.2 m -59.65 -17.21 31.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 54.109999999999999 110.43 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 19.86 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 53.240000000000002 109.269 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 m -136.22 150.41 48.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.040000000000006 110.433 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' A' ' 37' ' ' ASP . 1.6 tm? -144.02 131.26 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 72.519999999999996 109.275 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.695 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.0 tm? -118.04 103.94 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' PHE . 2.0 tt0 -79.29 109.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 74.400000000000006 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 61' ' ' ILE . 1.7 tm? -94.51 119.04 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 73.230000000000004 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 7.2 m170 -119.26 108.19 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 63.210000000000001 109.603 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.427 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -88.66 129.7 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 60.219999999999999 109.267 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 9.2 p90 -146.0 159.59 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' A' ' 4' ' ' LEU . 2.7 t80 -103.49 149.7 24.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 53.450000000000003 110.95 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.746 ' OD1' HG23 ' A' ' 55' ' ' VAL . 65.5 t0 -121.74 132.64 54.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.519999999999996 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 54' ' ' HIS . 0.4 OUTLIER -87.25 3.72 45.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 71.510000000000005 109.551 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.746 HG23 ' OD1' ' A' ' 53' ' ' ASP . 55.4 t -71.57 -47.88 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 74.239999999999995 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CD2' HG12 ' A' ' 55' ' ' VAL . 51.0 m-85 -117.22 1.02 12.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 75.329999999999998 111.023 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 62.44 51.57 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 72.349999999999994 109.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -152.64 167.58 13.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 64.150000000000006 109.342 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.03 170.26 20.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 75.340000000000003 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.528 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 16.6 t -148.5 171.33 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.975 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.715 HG23 HD21 ' A' ' 48' ' ' LEU . 33.2 mt -132.47 136.23 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 71.129999999999995 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 112' ' ' TYR . 21.8 tttt -149.03 131.51 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 65.010000000000005 109.247 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.851 ' CE2' HD11 ' A' ' 113' ' ' ILE . 9.9 p90 -152.56 159.5 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 111.021 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 1.012 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -130.98 117.64 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 72.129999999999995 110.335 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.109 HD11 HD13 ' A' ' 87' ' ' LEU . 12.4 mt -58.21 145.28 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 65.319999999999993 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.727 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 95.6 m95 -131.83 151.0 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 75.430000000000007 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.757 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -124.82 97.76 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 44.109999999999999 109.99 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.675 HD13 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -67.19 126.24 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -119.21 112.38 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.61 36.52 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.109999999999999 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -38.02 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.636 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.0 mt-10 -108.09 -2.58 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 65.43 49.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.279 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.77 -8.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 65.010000000000005 109.297 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.1 t 79.83 45.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.400000000000006 109.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.752 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -83.13 177.01 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 71.129999999999995 109.959 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.49 165.95 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 43.140000000000001 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' LEU . 1.1 tpp85 -155.41 140.63 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.25 110.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.012 HD11 ' HB3' ' A' ' 64' ' ' ARG . 13.6 tp -57.34 129.99 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 70.420000000000002 109.289 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 67' ' ' SER . 34.1 mt -93.17 162.5 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 64.409999999999997 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 80' ' ' LEU . 6.6 p -154.76 109.32 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 110.391 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -139.54 166.92 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 50.229999999999997 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 m -62.35 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 61.240000000000002 109.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -47.0 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 60.399999999999999 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.89 -34.61 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 33.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' A' ' 82' ' ' LEU . 12.8 mt-10 -74.45 -33.13 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 63.210000000000001 110.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.109 HD13 HD11 ' A' ' 65' ' ' LEU . 3.9 tp -76.99 -30.61 56.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 75.510000000000005 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -17.52 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 74.109999999999999 110.298 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 -21.06 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.451 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -122.29 -43.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 64.329999999999998 109.253 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.33 160.39 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 74.140000000000001 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.775 ' ND2' HD12 ' A' ' 143' ' ' LEU . 66.4 m-80 -118.36 88.67 2.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 61.32 109.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -82.4 -56.97 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 63.149999999999999 109.297 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.07 -94.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 111.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -93.83 -24.51 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 65.140000000000001 110.415 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.47 -174.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.349999999999994 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 m -157.6 154.04 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 43.509999999999998 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.66 154.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 75.120000000000005 109.323 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -135.23 109.78 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.219999999999999 110.382 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.079 HD11 HG12 ' A' ' 109' ' ' VAL . 31.5 tp -70.42 136.53 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 75.200000000000003 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 110' ' ' TYR . 2.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 74.219999999999999 109.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.028 -0.36 . . . . 61.329999999999998 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.079 HG12 HD11 ' A' ' 100' ' ' LEU . 2.4 t -104.46 138.89 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.5 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.729 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.57 158.86 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 111.007 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.753 ' CD1' HD13 ' A' ' 100' ' ' LEU . 72.4 m-85 -109.56 118.53 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 74.510000000000005 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 62' ' ' LYS . 21.0 m-85 -97.56 117.94 32.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 73.530000000000001 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.851 HD11 ' CE2' ' A' ' 63' ' ' PHE . 34.8 mm -61.92 144.35 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 70.400000000000006 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.623 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -77.28 89.29 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 73.409999999999997 109.31 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 11.5 p-10 -113.31 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.340000000000003 109.23 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.0 p -117.35 -42.57 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.450000000000003 108.318 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ASN . 54.4 m-20 -92.85 25.53 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 109.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -54.72 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 63.119999999999997 110.404 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.06 -25.69 67.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 109.281 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.39 -12.2 46.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 109.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 117' ' ' ASP . 31.0 m120 -90.21 -69.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 72.150000000000006 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.889 ' CG2' HD22 ' A' ' 136' ' ' LEU . 13.5 t -82.97 -64.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 55.310000000000002 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.39 26.53 7.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 71.420000000000002 111.009 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 t -64.78 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 54.25 109.994 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -166.11 133.56 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 65.239999999999995 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.614 HG23 ' CD1' ' A' ' 2' ' ' LEU . 1.3 p -54.5 -20.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 62.329999999999998 109.312 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -45.5 -67.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 70.219999999999999 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.71 46.9 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.239999999999995 109.642 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 11.7 t80 -74.99 -32.7 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 71.099999999999994 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.758 ' O ' HG22 ' A' ' 134' ' ' ILE . 3.5 mm? -54.6 -28.25 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 72.450000000000003 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.443 ' HA ' HG22 ' A' ' 134' ' ' ILE . 45.7 p -88.56 -51.97 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 62.130000000000003 110.394 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 12.6 tpt180 -64.34 -15.21 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.200000000000003 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.528 ' CD2' ' HG2' ' A' ' 59' ' ' PRO . 47.2 t90 -89.69 -62.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.984 -1.117 . . . . 72.239999999999995 107.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.758 HG22 ' O ' ' A' ' 130' ' ' LEU . 6.4 tp -50.59 -56.11 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 72.329999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.589 ' O ' HG22 ' A' ' 138' ' ' ILE . 28.7 t -54.59 -16.35 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 63.119999999999997 110.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.889 HD22 ' CG2' ' A' ' 122' ' ' VAL . 1.4 tp -77.15 -56.55 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 52.149999999999999 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.608 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 81.3 m-85 -76.21 -14.78 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 70.400000000000006 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 135' ' ' SER . 2.0 tp -60.5 -31.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -69.51 -6.48 30.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 70.239999999999995 110.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 92' ' ' ASN . 19.8 mt -92.89 -10.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.461 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 96.1 m-85 -115.54 -37.23 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 72.5 111.035 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.429 ' OD2' ' CB ' ' A' ' 145' ' ' PHE . 56.0 t0 -148.29 117.85 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 72.230000000000004 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.775 HD12 ' ND2' ' A' ' 92' ' ' ASN . 1.4 mt -92.09 2.67 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 60.140000000000001 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.79 -15.64 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 55.539999999999999 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.4 t80 -107.75 108.45 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 111.003 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.25 97.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.658 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 73.129999999999995 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.497 0.189 . . . . 71.540000000000006 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.753 HD13 HG13 ' A' ' 126' ' ' VAL . 12.1 tp -55.64 106.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 64.230000000000004 109.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 69.7 p -74.89 -168.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.406 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -76.0 -45.84 3.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 52.340000000000003 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -8.39 20.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 71.019999999999996 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.616 ' HB3' HD12 ' A' ' 2' ' ' LEU . 14.4 mm-40 -88.41 -37.13 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.219999999999999 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.773 ' HD1' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -87.42 -33.0 19.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 74.340000000000003 111.009 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE2' ' A' ' 7' ' ' TYR . 5.4 m-20 -71.21 -15.43 62.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 72.430000000000007 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.41 -23.61 61.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 110.349 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 20.6 mt-30 -112.57 18.02 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 70.129999999999995 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -59.96 -44.53 97.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 73.109999999999999 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 2.3 m-20 -94.05 -33.76 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 73.319999999999993 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.95 HG13 HG12 ' A' ' 134' ' ' ILE . 37.2 t -74.44 -53.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 61.229999999999997 109.305 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.714 ' O ' HG23 ' A' ' 19' ' ' THR . 7.7 ptm180 -64.1 -18.73 64.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 70.340000000000003 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -74.19 -40.96 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 72.109999999999999 109.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.956 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.4 pp -82.6 -33.19 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.956 ' N ' HD12 ' A' ' 17' ' ' LEU . 13.2 mt -54.7 -33.05 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 15' ' ' ARG . 63.1 p -48.14 -23.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 72.430000000000007 110.416 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 63.9 mmtt -70.36 -40.71 73.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 74.5 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.988 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 2.6 t90 -49.33 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 65.510000000000005 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . -65.11 -13.79 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 75.140000000000001 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 1.2 mtpp -77.82 -26.14 49.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 64.439999999999998 109.33 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 21' ' ' TRP . 25.1 t -66.93 124.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 64.010000000000005 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -109.14 -26.22 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 64.319999999999993 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -126.49 150.4 48.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 74.109999999999999 110.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 HD23 ' A' ' 36' ' ' LEU . 1.7 mm -137.51 114.36 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.298 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.958 ' O ' HD23 ' A' ' 34' ' ' LEU . 14.9 tt0 -142.23 150.92 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.530000000000001 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.29 154.14 28.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 63.350000000000001 109.26 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -134.24 162.59 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.3 tt0 -57.28 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 110.268 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER 76.35 57.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 71.439999999999998 109.297 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.36 -165.63 37.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 70.140000000000001 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -159.57 148.13 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 72.519999999999996 109.294 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.468 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 1.7 tm0? -131.02 111.32 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.430000000000007 110.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.16 168.83 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.401 ' CG ' ' OE1' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -124.37 95.39 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 72.519999999999996 109.329 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.808 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 3.3 t -86.77 129.86 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.44 78.68 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 64.420000000000002 110.306 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.063 HD13 HD12 ' A' ' 90' ' ' ILE . 13.2 mt -56.31 -38.83 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 74.420000000000002 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -142.31 158.54 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 65.049999999999997 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -60.41 -14.56 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 65.310000000000002 110.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.15 21.92 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 109.318 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 66' ' ' TRP . 28.0 m -135.47 152.5 51.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 61.32 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.873 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -134.46 142.93 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.450000000000003 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.873 ' H ' HD22 ' A' ' 45' ' ' LEU . 1.1 tm? -123.02 104.71 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 1.2 tp10 -86.11 91.17 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 71.019999999999996 110.253 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 HG23 ' A' ' 61' ' ' ILE . 2.9 tm? -80.73 119.74 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 71.239999999999995 109.281 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.413 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 5.1 m170 -117.04 117.67 30.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 109.606 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 3.4 tt -97.11 126.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 72.400000000000006 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 18.1 p90 -145.36 154.77 42.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 70.129999999999995 110.958 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' CG ' HD22 ' A' ' 4' ' ' LEU . 52.9 t80 -95.35 158.14 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 64.439999999999998 110.97 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' OD1' HG23 ' A' ' 55' ' ' VAL . 37.2 t0 -137.23 112.36 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.030000000000001 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 4.2 m-70 -71.63 -7.03 45.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 109.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 56' ' ' TYR . 54.0 t -58.79 -44.48 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 72.430000000000007 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.62 ' CD1' HG12 ' A' ' 55' ' ' VAL . 25.2 m-85 -121.63 -0.76 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 75.120000000000005 110.97 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.657 ' O ' HG13 ' A' ' 58' ' ' VAL . 29.3 m-70 62.86 60.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 75.0 109.621 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -163.71 164.41 15.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 109.326 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.93 161.26 39.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 71.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.592 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 3.5 p -141.42 170.87 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 71.540000000000006 110.003 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.863 HD12 ' CD2' ' A' ' 137' ' ' TYR . 12.8 mt -131.41 146.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 72.140000000000001 109.31 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 12.6 ttpt -155.54 117.15 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.631 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 39.7 p90 -136.28 163.11 31.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 64.239999999999995 110.944 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.858 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.5 mtm180 -138.1 122.14 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.898 ' O ' HD12 ' A' ' 79' ' ' LEU . 47.4 mt -61.41 138.11 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.349999999999994 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.9 m95 -131.04 155.51 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.97 -1.122 . . . . 63.420000000000002 107.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.812 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -127.64 97.83 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 52.140000000000001 109.993 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.76 124.48 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 72.109999999999999 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -121.72 112.84 18.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 64.450000000000003 109.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.55 30.01 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 63.520000000000003 110.43 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -42.54 -42.82 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.230000000000004 110.326 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.0 mt-10 -104.33 -14.65 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 110.31 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER 81.86 50.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 109.337 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.02 -0.3 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.400000000000006 109.319 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 t 69.17 45.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 60.530000000000001 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.799 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.99 175.74 9.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 72.200000000000003 110.004 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.535 HD12 ' C ' ' A' ' 77' ' ' LEU . 2.8 pp -167.48 161.62 13.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 52.299999999999997 109.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -155.33 133.08 11.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.120000000000005 110.285 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.898 HD12 ' O ' ' A' ' 65' ' ' LEU . 14.1 tp -52.3 138.59 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 75.409999999999997 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 67' ' ' SER . 64.2 mt -105.03 141.2 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 73.400000000000006 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -132.57 90.92 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 44.229999999999997 110.391 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -117.19 167.18 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.313 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -56.7 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 71.040000000000006 109.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.33 -38.88 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 65.340000000000003 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.27 -38.12 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.66 -38.29 80.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 73.010000000000005 110.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -68.79 -47.33 66.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.349999999999994 109.341 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.605 ' N ' HD23 ' A' ' 87' ' ' LEU . 1.5 tpt180 -49.27 -22.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 75.439999999999998 110.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.57 -34.81 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 64.409999999999997 110.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.063 HD12 HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -108.77 -42.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 50.25 109.306 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mt -76.66 -178.41 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 41.32 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.636 ' CG ' HD12 ' A' ' 143' ' ' LEU . 54.4 m-80 -154.1 102.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.626 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -88.99 -58.75 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 109.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 56.03 -84.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 64.019999999999996 111.053 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.3 t -115.1 19.39 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 73.230000000000004 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 140' ' ' ILE . 14.8 m-85 -113.52 -172.03 2.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.099999999999994 110.982 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -148.29 169.85 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.030000000000001 109.977 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 99' ' ' THR . 14.5 p -152.83 170.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 63.43 109.3 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.523 ' N ' HG22 ' A' ' 98' ' ' VAL . 3.3 m -141.04 117.85 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.200000000000003 110.408 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.003 HD12 ' O ' ' A' ' 110' ' ' TYR . 36.4 tp -110.73 122.49 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.539999999999999 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.409999999999997 109.955 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.0 -0.371 . . . . 72.010000000000005 110.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.632 HG12 HD11 ' A' ' 100' ' ' LEU . 14.3 t -142.43 143.36 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 43.240000000000002 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 1.003 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.1 m-85 -136.31 154.49 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 65.299999999999997 110.97 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.783 ' CD1' HD13 ' A' ' 100' ' ' LEU . 12.9 m-85 -115.65 77.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 73.019999999999996 111.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 98.1 m-85 -67.57 110.28 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 64.140000000000001 111.018 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.8 mt -74.42 138.65 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.15 112.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.291 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 60' ' ' SER . 3.9 p-10 -133.78 21.33 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 64.530000000000001 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.37 -46.3 49.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 108.311 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.968 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 9.4 m-20 -96.03 54.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 73.409999999999997 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.41 HG21 ' HD2' ' A' ' 59' ' ' PRO . 81.9 m -58.46 -50.18 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 110.418 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -62.5 -28.71 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.329999999999998 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.968 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -86.8 -15.38 39.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 117' ' ' ASP . 20.2 m-20 -83.57 -54.26 5.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 123' ' ' GLY . 9.2 p -121.77 -54.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 52.119999999999997 109.341 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 37.72 35.4 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 52.299999999999997 110.939 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 t -68.42 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 72.450000000000003 110.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.92 143.34 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 54.439999999999998 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.753 HG13 HD13 ' A' ' 2' ' ' LEU . 58.8 t -63.78 -13.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 12.2 mt-10 -65.45 -67.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.239999999999995 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 46.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.030000000000001 109.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -79.28 -38.27 35.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 75.030000000000001 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.79 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.3 mm? -71.77 -21.52 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 p -87.0 -45.18 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 51.439999999999998 110.414 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.5 tpt180 -73.7 -50.99 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.019999999999996 110.256 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.663 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 77.5 t90 -47.49 -57.39 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 72.230000000000004 107.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.95 HG12 HG13 ' A' ' 14' ' ' VAL . 7.6 tp -60.7 -53.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.219999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 134' ' ' ILE . 35.7 t -54.94 -15.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -90.93 -74.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 70.129999999999995 109.259 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.863 ' CD2' HD12 ' A' ' 61' ' ' ILE . 28.3 m-85 -47.87 -41.31 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.988 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 8.7 tp -50.11 -37.11 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -59.09 -32.17 69.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 64.25 110.324 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 92' ' ' ASN . 59.7 mt -66.22 -10.05 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 64.140000000000001 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.7 m-85 -112.57 -38.72 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 111.023 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 9.8 t70 -147.76 107.68 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.636 HD12 ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -83.92 3.32 34.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.98 -9.84 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 73.209999999999994 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.81 104.65 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 53.299999999999997 110.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.67 103.61 53.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 51.240000000000002 109.267 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.567 ' HB2' HD22 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 55.549999999999997 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.514 0.197 . . . . 73.230000000000004 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.745 ' HB2' HG22 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -50.57 113.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 71.040000000000006 109.338 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.518 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 27.4 p -71.87 -162.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 51.200000000000003 110.372 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.854 HD23 ' CD2' ' A' ' 52' ' ' TYR . 1.6 tm? -75.92 -45.07 3.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.0 -6.68 18.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 52.119999999999997 110.978 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' N ' ' A' ' 3' ' ' THR . 30.1 mt-10 -89.12 -38.71 14.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.25 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.919 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -78.53 -32.09 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.010000000000005 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -68.71 -20.57 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 73.140000000000001 109.318 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.53 -25.88 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 74.530000000000001 110.287 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' NE2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -117.25 22.22 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.329999999999998 110.266 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.919 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -67.33 -45.89 49.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.020000000000003 109.249 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.02 0.17 9.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 63.210000000000001 110.996 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -89.1 -31.66 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 64.200000000000003 109.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.755 ' CG1' HD13 ' A' ' 134' ' ' ILE . 36.3 t -78.25 -52.06 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.340000000000003 109.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 19' ' ' THR . 17.1 ptt85 -63.31 -18.16 63.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -77.58 -41.13 39.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 32.399999999999999 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.963 HD13 ' HB3' ' A' ' 147' ' ' PRO . 2.0 pp -83.45 -25.42 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.519999999999996 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.684 HD21 HD11 ' A' ' 134' ' ' ILE . 12.8 mt -63.52 -24.45 67.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 15' ' ' ARG . 79.8 p -53.75 -25.1 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 53.350000000000001 110.407 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.86 -33.36 75.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 62.25 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.682 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.1 t90 -54.19 125.06 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 108.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.21 -12.47 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 64.430000000000007 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HB2' HG13 ' A' ' 38' ' ' VAL . 17.9 mtpt -80.0 -26.35 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 61.329999999999998 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 38' ' ' VAL . 49.0 t -68.71 126.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.019999999999996 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' CD ' ' CG ' ' A' ' 39' ' ' ARG . 3.4 mt-10 -107.54 -34.87 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 63.439999999999998 110.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -124.88 133.58 53.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 110.352 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.4 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.0 mm -120.83 105.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 63.149999999999999 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' O ' HD23 ' A' ' 34' ' ' LEU . 19.1 tt0 -133.38 145.27 50.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 72.319999999999993 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.44 157.88 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.310000000000002 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.4 m -134.41 160.05 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 64.510000000000005 109.242 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 3.7 tt0 -57.54 90.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 52.399999999999999 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER 81.35 55.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 164.36 -169.92 39.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.981 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -157.56 139.75 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 63.009999999999998 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -121.81 113.01 19.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 73.319999999999993 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.804 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.32 147.92 43.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 109.292 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -108.75 95.12 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 74.049999999999997 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 24' ' ' VAL . 4.1 t -88.74 127.97 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 64.340000000000003 109.35 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.808 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -90.03 79.79 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.219999999999999 110.256 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.859 HD13 ' CB ' ' A' ' 46' ' ' LEU . 6.1 mp -58.39 -32.12 68.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.439999999999998 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.4 ttmt -149.62 154.73 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 63.329999999999998 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -59.61 -15.02 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.340000000000003 110.38 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -128.33 15.24 6.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.289 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.583 HG23 HD12 ' A' ' 80' ' ' LEU . 8.0 m -135.9 137.37 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.439999999999998 110.41 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.997 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -129.86 133.06 46.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 63.509999999999998 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.997 ' N ' HD12 ' A' ' 45' ' ' LEU . 2.7 tm? -110.97 108.83 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 61.200000000000003 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.555 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.8 tt0 -87.29 96.3 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 64.230000000000004 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.904 HD12 ' CE2' ' A' ' 141' ' ' PHE . 2.4 tt -88.98 131.03 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.555 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -133.32 111.81 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.030000000000001 109.623 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.1 tt -85.77 130.17 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 72.209999999999994 109.3 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.4 p90 -144.42 128.94 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 64.200000000000003 110.96 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.854 ' CD2' HD23 ' A' ' 4' ' ' LEU . 84.1 t80 -71.57 150.65 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 74.310000000000002 111.029 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.845 ' OD1' HG23 ' A' ' 55' ' ' VAL . 42.0 t0 -127.86 126.64 41.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 42.450000000000003 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -81.65 3.66 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 75.519999999999996 109.622 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.845 HG23 ' OD1' ' A' ' 53' ' ' ASP . 77.3 t -67.23 -47.56 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.040000000000006 109.298 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.613 ' CD1' HG12 ' A' ' 55' ' ' VAL . 42.2 m-85 -122.77 2.76 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.239999999999995 110.976 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 64.82 47.49 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 74.319999999999993 109.636 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG21 ' HB ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -148.2 164.06 23.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.335 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 52' ' ' TYR . 18.2 Cg_endo -74.95 149.95 37.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 52.299999999999997 110.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 2.1 m -114.97 172.68 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 53.399999999999999 109.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 137' ' ' TYR . 9.5 mt -137.75 127.31 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 42.200000000000003 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.07 118.83 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.450000000000003 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.804 ' CD1' HD21 ' A' ' 46' ' ' LEU . 28.9 p90 -129.77 162.74 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.955 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.837 ' HB3' HD11 ' A' ' 79' ' ' LEU . 7.4 mtp180 -139.88 121.89 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 110.312 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 79' ' ' LEU . 66.8 mt -69.2 138.85 54.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 72.230000000000004 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' THR . 94.4 m95 -127.62 162.87 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.040000000000006 108.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -133.63 97.74 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 62.210000000000001 109.957 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.808 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.6 125.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 72.420000000000002 109.265 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -122.63 113.09 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 72.430000000000007 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.32 29.55 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -42.82 -43.18 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.2 mt-10 -103.43 -14.84 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.48 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 44.130000000000003 109.279 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.67 2.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 74.010000000000005 109.284 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t 67.46 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 75.400000000000006 109.971 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.764 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.68 175.28 10.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 64.510000000000005 109.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.2 pp -166.88 164.28 16.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.118 . . . . 75.519999999999996 109.294 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 1.6 tpm_? -155.36 140.59 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 75.319999999999993 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.837 HD11 ' HB3' ' A' ' 64' ' ' ARG . 14.4 tp -58.21 138.55 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 61.310000000000002 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 67' ' ' SER . 61.4 mt -104.88 154.77 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 62.299999999999997 109.269 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -149.33 119.92 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 72.450000000000003 110.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -143.86 165.04 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 74.519999999999996 109.314 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -57.24 -171.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.955 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -47.39 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 65.409999999999997 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -66.28 -34.28 77.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 73.450000000000003 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.97 -35.14 74.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 62.130000000000003 110.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.049 HD21 HD12 ' A' ' 91' ' ' LEU . 1.3 tt -73.64 -51.91 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.030000000000001 109.245 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.557 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.71 -24.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.150000000000006 110.328 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -45.28 -25.85 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 62.219999999999999 110.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.474 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -117.1 -42.79 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 72.230000000000004 109.327 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.049 HD12 HD21 ' A' ' 87' ' ' LEU . 28.9 mt -75.23 178.88 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.458 ' CG ' HD12 ' A' ' 143' ' ' LEU . 70.7 m-80 -140.58 95.66 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.310000000000002 109.32 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.632 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.61 -58.07 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.519999999999996 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.88 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 71.219999999999999 111.035 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LEU . 3.5 t -113.25 -21.04 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 64.430000000000007 110.363 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.436 ' CG ' HD11 ' A' ' 140' ' ' ILE . 6.1 m-85 -62.11 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 63.530000000000001 111.007 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.16 168.99 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.25 110.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.532 HG22 ' H ' ' A' ' 99' ' ' THR . 11.5 p -153.41 171.42 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 75.129999999999995 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.532 ' H ' HG22 ' A' ' 98' ' ' VAL . 2.8 m -146.38 110.3 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 34.039999999999999 110.375 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.988 HD12 ' O ' ' A' ' 110' ' ' TYR . 19.1 tp -98.67 122.75 42.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 61.25 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 72.109999999999999 109.991 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.961 -0.385 . . . . 72.450000000000003 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.837 HG12 HD11 ' A' ' 100' ' ' LEU . 2.3 t -144.12 141.58 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 74.549999999999997 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.988 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -132.66 151.55 51.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 110.991 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.958 ' CD1' HD13 ' A' ' 100' ' ' LEU . 51.6 m-85 -108.4 79.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.140000000000001 110.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 96.1 m-85 -68.96 114.78 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 71.340000000000003 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 61' ' ' ILE . 6.0 mt -77.69 140.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -60.36 114.17 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 109.249 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 4.5 p-10 -145.82 28.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 16.8 p -76.18 -46.48 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.400000000000006 108.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' ALA . 4.9 m-20 -96.99 42.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.219999999999999 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.473 ' HB ' HG21 ' A' ' 58' ' ' VAL . 30.6 m -45.5 -25.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 110.373 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.93 -43.54 74.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 41.350000000000001 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' ASP . . . -81.68 -10.82 59.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 62.409999999999997 109.334 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.75 ' HB3' HD11 ' A' ' 136' ' ' LEU . 0.9 OUTLIER -74.5 -69.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 64.439999999999998 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.938 ' HB ' HD13 ' A' ' 136' ' ' LEU . 4.8 p -103.65 -50.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 72.5 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.473 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 36.97 48.43 1.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 44.140000000000001 111.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.4 ' CB ' ' HG2' ' A' ' 132' ' ' ARG . 7.6 p -91.86 -75.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 73.420000000000002 109.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -151.78 124.88 8.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 74.540000000000006 109.283 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.745 HG22 ' HB2' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -53.69 -28.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 72.530000000000001 109.296 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -68.41 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 71.299999999999997 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -95.22 46.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.626 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.575 ' CE1' HG13 ' A' ' 122' ' ' VAL . 2.0 t80 -84.33 -33.66 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 73.120000000000005 110.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.678 ' O ' HG22 ' A' ' 134' ' ' ILE . 4.3 mm? -67.06 -28.22 68.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 65.150000000000006 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p -86.55 -34.92 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.240000000000002 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' CB ' ' A' ' 124' ' ' SER . 9.9 tpt180 -85.35 -16.45 39.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 78.6 t90 -87.18 -47.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.013 -1.106 . . . . 53.329999999999998 108.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.962 HG21 HD21 ' A' ' 17' ' ' LEU . 5.8 tp -56.54 -47.9 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.319999999999993 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.537 ' HA ' HG22 ' A' ' 138' ' ' ILE . 3.5 t -73.12 -0.34 13.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.349999999999994 109.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.938 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.99 -41.32 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 74.439999999999998 109.276 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.777 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -94.0 -47.39 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 64.310000000000002 111.025 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.682 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 6.9 tp -44.5 -26.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.040000000000006 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 137' ' ' TYR . 47.0 mtp180 -64.28 -43.54 94.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 75.200000000000003 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 137' ' ' TYR . 73.9 mt -57.47 -15.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.209999999999994 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.904 ' CE2' HD12 ' A' ' 48' ' ' LEU . 5.2 m-85 -106.32 -34.84 7.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 63.109999999999999 110.963 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -148.48 108.69 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 73.239999999999995 109.325 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.458 HD12 ' CG ' ' A' ' 92' ' ' ASN . 6.6 mt -87.9 3.64 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -108.5 -16.17 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 73.200000000000003 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.495 ' HZ ' HD12 ' A' ' 17' ' ' LEU . 70.1 t80 -79.13 110.31 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.25 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.54 116.31 57.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.439999999999998 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.963 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 73.010000000000005 111.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.516 0.198 . . . . 63.310000000000002 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.717 HD21 ' HB2' ' A' ' 7' ' ' TYR . 17.0 tp -68.7 114.69 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 66.0 p -79.79 -172.83 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 53.420000000000002 110.42 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -76.46 -45.43 3.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 109.299 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.07 -8.43 19.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 60.030000000000001 110.947 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB3' HD12 ' A' ' 2' ' ' LEU . 11.2 mm-40 -88.28 -39.35 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 75.439999999999998 110.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.931 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.15 -35.02 20.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 70.150000000000006 110.956 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 17.4 t-20 -64.39 -17.82 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 73.540000000000006 109.319 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -74.16 -27.17 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 63.329999999999998 110.334 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.1 mt-30 -109.39 12.45 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 74.439999999999998 110.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.931 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.8 OUTLIER -60.56 -46.62 97.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 109.358 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.512 1.796 . . . . 74.549999999999997 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.7 m-20 -93.23 -34.29 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 72.319999999999993 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.984 ' O ' HD23 ' A' ' 18' ' ' LEU . 90.7 t -75.71 -39.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 60.240000000000002 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' THR . 40.9 ptt85 -73.82 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -73.14 -46.39 51.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.510000000000005 110.015 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 HD22 ' A' ' 18' ' ' LEU . 4.6 pp -74.24 -26.76 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 74.430000000000007 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.984 HD23 ' O ' ' A' ' 14' ' ' VAL . 1.7 mm? -58.67 -31.15 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 109.347 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 15' ' ' ARG . 27.2 p -61.62 -13.42 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 63.030000000000001 110.381 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -82.82 -23.58 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 72.420000000000002 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.73 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.9 t90 -61.18 128.31 35.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 108.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -15.67 37.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 70.230000000000004 109.305 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.628 ' NZ ' HD22 ' A' ' 40' ' ' LEU . 1.4 mtpm? -85.2 -26.2 26.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.558 HG23 ' CE3' ' A' ' 21' ' ' TRP . 35.5 t -69.11 113.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.010000000000005 109.328 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.24 -40.43 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 27' ' ' ILE . 22.3 ttt85 -124.96 156.57 37.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.916 ' CD1' HD23 ' A' ' 36' ' ' LEU . 2.2 mm -141.17 109.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 64.239999999999995 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ASP . 12.4 tt0 -127.69 161.48 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 72.019999999999996 110.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 4.5 p30 -118.2 161.96 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 73.340000000000003 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.5 m -139.46 179.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.099999999999994 109.267 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 6.7 tt0 -76.38 93.69 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.120000000000005 110.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' OD2' HD21 ' A' ' 4' ' ' LEU . 2.0 t70 80.6 45.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 170.26 -171.83 43.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 70.540000000000006 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.564 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -149.87 149.99 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 74.319999999999993 109.313 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tm0? -126.4 116.37 21.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 110.256 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.956 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.29 146.67 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 72.109999999999999 109.286 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.89 95.22 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.314 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.894 HG12 ' CD2' ' A' ' 40' ' ' LEU . 96.0 t -82.78 106.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.510000000000005 110.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.894 ' CD2' HG12 ' A' ' 38' ' ' VAL . 1.2 mm? -57.69 -28.45 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.019999999999996 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -153.09 163.75 39.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.420000000000002 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -63.05 -12.12 24.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 110.378 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.7 10.54 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 74.510000000000005 109.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.433 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 36.2 m -123.48 126.67 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.889 HD11 ' HG3' ' A' ' 47' ' ' GLU . 1.5 tm? -112.83 134.47 54.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.591 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -125.75 106.09 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 73.400000000000006 109.306 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.889 ' HG3' HD11 ' A' ' 45' ' ' LEU . 21.6 mt-10 -81.89 112.43 19.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 62.119999999999997 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.807 HD21 HG23 ' A' ' 61' ' ' ILE . 1.9 tm? -96.58 122.23 39.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 75.209999999999994 109.256 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 62' ' ' LYS . 11.2 m170 -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 73.420000000000002 109.611 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -122.98 122.24 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 63.439999999999998 109.252 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -142.12 174.01 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -104.84 146.64 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 75.230000000000004 111.034 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -115.38 111.77 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.284 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -81.02 3.54 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 109.618 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 56' ' ' TYR . 13.1 m -81.88 -37.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 74.420000000000002 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.616 ' CD2' HG23 ' A' ' 55' ' ' VAL . 36.4 m-85 -122.61 -1.91 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.040000000000006 111.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.7 m-70 63.12 50.69 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.537 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -153.46 163.58 23.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 73.349999999999994 109.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.563 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.98 160.48 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 65.329999999999998 111.06 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 33.5 t -136.82 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.239999999999995 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.807 HG23 HD21 ' A' ' 48' ' ' LEU . 10.9 mt -137.61 131.23 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 109.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.49 ' HZ2' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -144.01 134.53 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.322 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 17.3 p90 -148.57 159.98 43.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 71.340000000000003 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.789 ' CB ' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -131.87 113.17 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.420000000000002 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.558 HD23 ' HG ' ' A' ' 46' ' ' LEU . 66.7 mt -53.42 141.1 25.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 53.020000000000003 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.84 ' CZ2' HD12 ' A' ' 79' ' ' LEU . 96.3 m95 -124.12 160.82 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.329999999999998 108.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.879 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.86 97.7 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 72.120000000000005 109.961 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.47 125.44 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.278 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -122.51 112.62 18.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.49 34.57 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 64.200000000000003 110.384 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.79 -44.83 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 75.310000000000002 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 74' ' ' ILE . 3.6 mt-10 -103.56 -12.15 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 61.399999999999999 110.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.6 t70 81.28 51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 109.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 1.32 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 64.040000000000006 109.335 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 t 66.7 47.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 55.310000000000002 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.792 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -87.18 175.45 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 53.409999999999997 109.992 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.511 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -167.57 166.08 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.109999999999999 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -155.38 139.61 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 71.409999999999997 110.365 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.84 HD12 ' CZ2' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -64.67 131.14 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 45.43 109.344 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.879 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.0 mt -98.99 156.04 17.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.685 HG21 HG21 ' A' ' 109' ' ' VAL . 1.6 p -141.8 98.32 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 110.435 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -129.53 167.71 17.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 72.230000000000004 109.308 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -72.68 -168.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 75.019999999999996 110.008 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' LEU . 8.5 m-20 -72.29 -54.83 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.297 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 m -38.76 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 74.25 110.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.824 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.3 mt-10 -89.38 -44.19 10.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 65.109999999999999 110.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' ASP . 7.7 tt -58.38 -56.25 24.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 71.030000000000001 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -55.17 -17.8 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 50.130000000000003 110.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.758 ' HB3' HD13 ' A' ' 90' ' ' ILE . 3.3 t -57.51 -28.03 63.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 42.409999999999997 109.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 89' ' ' SER . 0.0 OUTLIER -120.2 -40.14 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.334 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 5.4 mt -83.71 160.75 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.230000000000004 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 140' ' ' ILE . 64.8 m-80 -117.54 99.12 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 65.540000000000006 109.363 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -88.6 -57.76 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 74.519999999999996 109.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.73 -93.72 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 64.409999999999997 110.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 t -103.27 -14.96 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 54.310000000000002 110.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -75.21 172.23 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 74.340000000000003 111.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -138.21 162.23 34.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 63.140000000000001 110.014 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 113' ' ' ILE . 3.1 t -138.88 161.2 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 53.229999999999997 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 8.8 m -131.83 102.93 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 110.389 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.001 HD13 ' CD1' ' A' ' 111' ' ' TYR . 36.9 tp -88.18 122.91 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 60.420000000000002 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 65.540000000000006 110.003 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.025 -0.361 . . . . 54.32 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.685 HG21 HG21 ' A' ' 81' ' ' THR . 2.0 t -141.29 132.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.340000000000003 109.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.988 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -118.05 154.33 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 110.997 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 1.001 ' CD1' HD13 ' A' ' 100' ' ' LEU . 65.2 m-85 -112.81 82.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.010000000000005 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 90.3 m-85 -73.83 109.38 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 61.109999999999999 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.616 ' HA ' HG22 ' A' ' 98' ' ' VAL . 5.9 mt -60.2 142.37 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.409999999999997 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.47 107.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 72.030000000000001 109.322 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 9.3 t30 -136.55 92.7 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 64.409999999999997 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.06 -55.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 52.25 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 3.1 m-20 -108.43 75.13 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 74.109999999999999 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.828 HG22 ' OH ' ' A' ' 129' ' ' TYR . 2.3 m -83.14 -58.55 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 63.399999999999999 110.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -50.53 -26.38 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 72.299999999999997 109.326 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.71 -28.45 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 61.43 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 1.0 OUTLIER -86.76 -70.13 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.340000000000003 109.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.903 HG22 HD13 ' A' ' 136' ' ' LEU . 57.8 t -62.83 -65.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 62.299999999999997 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.09 -23.27 15.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 53.210000000000001 110.97 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.638 ' H ' HG12 ' A' ' 122' ' ' VAL . 50.1 m -38.02 140.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 45.32 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.5 174.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 61.009999999999998 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.583 HG13 HD13 ' A' ' 2' ' ' LEU . 23.9 t -84.69 -8.19 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 71.409999999999997 109.316 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.52 -67.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 110.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -112.79 47.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 75.400000000000006 109.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.828 ' OH ' HG22 ' A' ' 118' ' ' THR . 4.6 t80 -75.92 -43.21 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 65.519999999999996 110.961 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.785 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.5 mm? -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 64.329999999999998 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.1 p -89.47 -51.16 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 70.129999999999995 110.43 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -16.96 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 54.43 110.297 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.57 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 65.4 t90 -83.61 -61.8 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.977 -1.119 . . . . 63.509999999999998 107.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -56.42 -55.31 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 74.349999999999994 109.361 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 134' ' ' ILE . 30.2 t -55.3 -17.33 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 73.239999999999995 109.96 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.903 HD13 HG22 ' A' ' 122' ' ' VAL . 2.6 tt -91.97 -34.37 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.219999999999999 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.69 ' HB3' HD13 ' A' ' 61' ' ' ILE . 11.4 m-85 -94.32 -2.4 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 75.310000000000002 111.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.73 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.0 tp -84.4 -20.57 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 75.530000000000001 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -68.64 -7.39 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 92' ' ' ASN . 17.1 mt -88.98 -10.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 69.9 m-85 -119.58 -32.52 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 71.049999999999997 111.029 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 12.6 t0 -147.11 121.73 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 53.240000000000002 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.579 HD12 ' ND2' ' A' ' 92' ' ' ASN . 2.6 mt -98.16 3.1 49.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.84 -11.99 12.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 60.439999999999998 109.319 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.49 ' CE2' HG12 ' A' ' 138' ' ' ILE . 28.9 t80 -72.34 113.0 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 72.430000000000007 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.52 109.66 61.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.458 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.462 1.769 . . . . 74.409999999999997 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.477 0.179 . . . . 64.140000000000001 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 7' ' ' TYR . 10.2 tp -49.98 101.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.5 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.508 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 62.9 p -75.02 -165.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.407 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.3 tm? -76.85 -45.47 3.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 64.329999999999998 109.277 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.99 -10.26 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 71.209999999999994 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.559 ' HB3' HD12 ' A' ' 2' ' ' LEU . 13.6 mm-40 -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 72.230000000000004 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.846 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -87.28 -20.26 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 110.976 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' ND2' HD11 ' A' ' 4' ' ' LEU . 3.6 m-20 -78.02 -15.07 59.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 72.030000000000001 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.51 -32.01 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 72.430000000000007 110.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -100.93 11.45 39.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 75.209999999999994 110.339 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -58.48 -45.58 99.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 64.209999999999994 109.301 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.93 0.26 9.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 72.030000000000001 111.035 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 m-20 -93.76 -35.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 130' ' ' LEU . 25.2 t -75.57 -48.0 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 73.400000000000006 109.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HD2' HD21 ' A' ' 34' ' ' LEU . 3.8 ptm180 -65.9 -18.91 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 19' ' ' THR . 27.4 t -74.93 -46.6 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 110.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.961 HD13 ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -77.84 -24.69 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -59.28 -18.21 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 16' ' ' SER . 70.4 p -67.25 -9.82 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 71.239999999999995 110.366 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -81.9 -14.6 55.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 62.25 109.247 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.756 ' CZ3' HG21 ' A' ' 38' ' ' VAL . 1.6 t90 -75.03 128.56 35.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 107.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.16 -15.02 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.62 -13.42 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' CE3' ' A' ' 21' ' ' TRP . 24.2 t -73.97 128.04 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 64.420000000000002 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -110.69 -28.08 8.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 71.219999999999999 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -131.64 141.28 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 70.510000000000005 110.276 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -130.2 104.8 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 63.43 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.96 139.32 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 73.099999999999994 110.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.541 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.5 p-10 -99.54 163.84 12.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 54.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' CA ' ' A' ' 34' ' ' LEU . 34.3 m -140.76 165.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.519999999999996 109.336 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -90.73 31.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -164.76 30.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 109.298 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.92 -120.31 2.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -163.21 150.43 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 71.510000000000005 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.469 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.3 tm0? -131.78 109.68 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 110.29 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.21 170.32 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 109.298 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 70.2 m-20 -129.08 94.89 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.319999999999993 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.756 HG21 ' CZ3' ' A' ' 21' ' ' TRP . 9.0 t -85.67 148.53 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.230000000000004 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.15 79.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 70.340000000000003 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.097 HD13 HD12 ' A' ' 90' ' ' ILE . 22.4 mt -53.15 -42.39 66.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 5.2 ttmm -136.46 156.69 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 73.340000000000003 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.53 -16.96 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 52.240000000000002 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.03 17.92 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 73.109999999999999 109.302 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 66' ' ' TRP . 27.4 m -132.3 148.1 52.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 72.409999999999997 110.405 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.779 ' C ' HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -128.78 136.29 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 54.539999999999999 109.281 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -116.22 97.65 6.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.541 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.2 tt0 -78.19 101.5 7.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.775 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -94.93 130.79 41.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 71.120000000000005 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.97 113.81 13.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 62.439999999999998 109.673 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 8.8 tt -87.33 135.02 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 51.420000000000002 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.0 p90 -153.4 133.08 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.510000000000005 110.97 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -83.04 154.13 24.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 75.530000000000001 110.982 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 48.4 t0 -116.15 137.62 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 72.530000000000001 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -88.29 3.89 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 63.530000000000001 109.577 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -86.47 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 71.230000000000004 109.249 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 75.7 m-85 -91.01 -11.83 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.967 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 39.0 m-70 65.53 43.39 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 61.100000000000001 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -147.76 167.42 13.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 64.310000000000002 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.95 153.41 41.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.791 . . . . 75.019999999999996 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -126.12 173.52 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 70.010000000000005 110.01 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.558 ' CD1' ' CG ' ' A' ' 137' ' ' TYR . 12.2 mt -138.01 127.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 122.53 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.329999999999998 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.806 ' CD1' HD21 ' A' ' 46' ' ' LEU . 54.9 p90 -138.34 152.9 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 71.420000000000002 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.699 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.0 mtm180 -121.54 121.25 37.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.219999999999999 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.13 HD11 HD13 ' A' ' 87' ' ' LEU . 34.5 mt -65.47 143.8 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 64.310000000000002 109.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.615 ' O ' HG23 ' A' ' 44' ' ' THR . 91.5 m95 -137.8 155.91 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 71.340000000000003 107.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.717 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -127.2 97.57 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.209999999999994 109.976 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.2 123.19 20.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 109.332 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -119.88 110.48 16.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.5 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.77 33.4 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 74.239999999999995 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -44.32 -43.38 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 110.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -104.17 -12.99 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER 81.71 52.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 75.540000000000006 109.274 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.65 -5.01 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 73.109999999999999 109.28 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t 73.82 41.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.439999999999998 110.012 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.81 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -78.92 175.08 10.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 74.120000000000005 110.037 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.5 pp -168.34 162.6 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.530000000000001 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -155.47 130.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 110.322 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.2 tp -49.53 134.04 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 73.310000000000002 109.286 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 67' ' ' SER . 36.7 mt -100.02 162.32 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 75.430000000000007 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -159.45 112.76 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 65.510000000000005 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -143.05 166.99 23.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 43.140000000000001 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -55.88 -173.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 72.109999999999999 109.99 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -80.58 -38.47 29.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 65.140000000000001 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -70.45 -32.81 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 63.240000000000002 109.997 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.531 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.2 mt-10 -74.35 -32.16 62.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.13 HD13 HD11 ' A' ' 65' ' ' LEU . 8.1 tp -82.55 -33.55 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 72.420000000000002 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -54.53 -19.92 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 63.229999999999997 110.274 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -55.1 -23.91 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 110.037 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.097 HD12 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -116.12 -37.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 72.299999999999997 109.292 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 27.5 mt -84.66 177.86 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 75.439999999999998 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.0 m-80 -145.39 97.61 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.626 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.7 -58.32 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 64.349999999999994 109.312 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.62 -82.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LEU . 1.2 t -110.44 -23.23 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 61.399999999999999 110.427 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.63 -169.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 111.021 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -149.48 167.11 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 72.329999999999998 109.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 113' ' ' ILE . 12.1 p -151.44 156.74 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -134.79 123.04 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.129999999999995 110.401 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 101' ' ' SER . 4.8 tt -92.22 135.79 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 64.040000000000006 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.885 ' N ' HD23 ' A' ' 100' ' ' LEU . 26.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 41.420000000000002 110.004 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.958 -0.386 . . . . 72.140000000000001 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.631 ' HB ' HD21 ' A' ' 79' ' ' LEU . 9.9 t -149.16 159.45 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.28 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -152.62 168.62 25.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 75.200000000000003 110.997 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.832 ' CE2' HD12 ' A' ' 100' ' ' LEU . 74.1 m-85 -122.6 111.96 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 111.034 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -90.85 110.83 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 73.099999999999994 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.533 ' HA ' HG23 ' A' ' 98' ' ' VAL . 3.6 mt -74.38 142.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 109.291 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -59.79 113.12 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 62.32 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -134.56 27.86 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 71.519999999999996 109.344 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.55 -37.89 13.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 73.400000000000006 108.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.27 38.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.229999999999997 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.653 HG22 ' OH ' ' A' ' 129' ' ' TYR . 3.6 m -82.99 -56.86 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 33.140000000000001 110.412 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 123' ' ' GLY . 2.9 p30 -50.8 -26.2 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 64.030000000000001 109.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.73 -28.4 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 40.409999999999997 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 118' ' ' THR . 36.1 m-20 -86.47 -69.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.284 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.766 ' HB ' HD13 ' A' ' 136' ' ' LEU . 1.3 p -63.75 -49.59 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 45.409999999999997 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 126.65 -163.9 20.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 64.439999999999998 111.044 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' VAL . 64.0 p -109.34 -23.07 11.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 65.219999999999999 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 64.400000000000006 109.258 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.768 HG23 HD13 ' A' ' 2' ' ' LEU . 1.7 p -77.02 -7.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -50.6 -67.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 53.32 110.27 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.3 m-70 -125.95 46.73 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.519999999999996 109.596 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.653 ' OH ' HG22 ' A' ' 118' ' ' THR . 4.0 t80 -70.09 -37.15 75.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.844 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.7 mm? -66.7 -27.9 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 64.329999999999998 109.258 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -90.4 -32.02 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 71.430000000000007 110.377 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 128' ' ' HIS . 28.6 mtt180 -86.43 -16.27 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 75.040000000000006 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 83.5 t90 -88.38 -46.29 9.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.989 -1.115 . . . . 65.019999999999996 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.809 HG21 HD21 ' A' ' 17' ' ' LEU . 7.5 tp -56.17 -50.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 70.230000000000004 109.334 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.507 ' HA ' HG22 ' A' ' 138' ' ' ILE . 8.6 t -71.46 -1.35 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 75.439999999999998 110.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.766 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.57 -42.91 7.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 70.510000000000005 109.339 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.635 ' C ' ' CD1' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -91.55 -47.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.109999999999999 110.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 134' ' ' ILE . 7.3 tp -44.51 -31.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 71.299999999999997 109.295 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.61 -42.1 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 73.239999999999995 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 65.6 mt -58.9 -14.29 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.775 ' CE2' HD12 ' A' ' 48' ' ' LEU . 7.2 m-85 -108.85 -32.68 7.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 73.519999999999996 111.001 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.514 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -148.76 107.17 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.209999999999994 109.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -86.95 2.71 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 52.030000000000001 109.299 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -112.36 -16.27 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 70.409999999999997 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.441 ' HZ ' HD12 ' A' ' 17' ' ' LEU . 63.3 t80 -72.64 112.4 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 111.016 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 116.58 56.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.030000000000001 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.961 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 65.420000000000002 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.505 0.193 . . . . 51.210000000000001 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 7' ' ' TYR . 11.4 tp -51.83 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.485 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 81.1 p -74.83 -170.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 54.340000000000003 110.392 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.34 -46.05 4.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 55.329999999999998 109.285 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.01 -7.5 19.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 74.109999999999999 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 2' ' ' LEU . 13.7 mm-40 -88.59 -38.57 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.867 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -87.5 -36.49 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 71.420000000000002 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.584 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.1 t-20 -65.93 -17.37 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 109.271 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -74.4 -24.11 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.9 mt-30 -115.27 16.39 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 52.43 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.867 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -62.33 -46.56 90.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 70.340000000000003 109.332 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 75.340000000000003 110.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.4 m-20 -90.83 -34.04 15.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 65.25 109.322 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.958 ' CG1' HD13 ' A' ' 134' ' ' ILE . 69.3 t -74.88 -46.73 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 73.120000000000005 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.768 ' HA ' HD22 ' A' ' 18' ' ' LEU . 20.6 ptt180 -67.48 -19.15 65.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.804 ' O ' HG23 ' A' ' 19' ' ' THR . 14.4 t -68.24 -62.32 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 110.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.864 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.0 pp -61.15 -24.22 66.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.109999999999999 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.863 HD23 HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -55.34 -24.24 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.150000000000006 109.282 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 16' ' ' SER . 63.3 p -55.97 -17.44 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 74.5 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 26.5 mmmt -78.24 -37.89 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.2 t90 -52.59 112.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 74.340000000000003 107.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.35 48.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 65.140000000000001 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -77.47 -24.65 50.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' CD2' ' A' ' 21' ' ' TRP . 22.5 t -68.88 111.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 61.210000000000001 109.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -98.13 -21.77 16.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 50.340000000000003 110.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.42 145.16 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.25 110.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.693 HD13 HD23 ' A' ' 36' ' ' LEU . 1.7 mm -132.84 112.51 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.711 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.9 tt0 -146.97 156.57 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 71.120000000000005 110.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 30' ' ' VAL . 7.5 t70 -119.1 166.76 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 71.349999999999994 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.441 ' N ' ' OD2' ' A' ' 29' ' ' ASP . 2.4 m -139.36 179.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 54.340000000000003 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 4.6 tt0 -73.42 92.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 78.27 47.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 61.32 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.431 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 172.97 -166.52 39.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 62.149999999999999 111.02 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -156.54 142.95 18.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 72.450000000000003 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -127.79 111.15 13.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 74.349999999999994 110.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.863 HD21 HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -119.36 170.62 8.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 75.209999999999994 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.796 ' OD2' HD21 ' A' ' 45' ' ' LEU . 11.3 t70 -117.18 98.43 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 65.519999999999996 109.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.67 HG12 HD12 ' A' ' 40' ' ' LEU . 41.9 t -89.03 114.48 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 73.230000000000004 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -89.5 95.4 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 110.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 HG12 ' A' ' 38' ' ' VAL . 8.8 mp -75.0 -47.77 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 109.293 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 6.4 ttmt -137.97 154.62 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 55.149999999999999 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 -14.38 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.439999999999998 110.395 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -125.56 18.32 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 60.340000000000003 109.307 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -146.14 132.86 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 54.409999999999997 110.389 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -126.44 131.63 51.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 73.019999999999996 109.288 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.994 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.6 tm? -116.95 112.78 21.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 73.200000000000003 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.568 ' OE2' ' CD1' ' A' ' 66' ' ' TRP . 1.4 mp0 -85.53 137.96 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.140000000000001 110.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.689 HD23 ' CE2' ' A' ' 141' ' ' PHE . 2.0 tm? -116.6 116.64 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 65.430000000000007 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.493 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.3 m170 -121.02 102.06 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.627 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 10.6 tt -85.66 134.07 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 64.530000000000001 109.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.7 p90 -150.2 135.38 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 74.209999999999994 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.6 t80 -80.96 154.8 26.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.219999999999999 110.971 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.767 ' OD2' HG23 ' A' ' 55' ' ' VAL . 62.3 t0 -130.64 131.95 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.42 3.69 38.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 64.430000000000007 109.639 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.767 HG23 ' OD2' ' A' ' 53' ' ' ASP . 54.4 t -68.19 -47.39 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 74.030000000000001 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.701 ' CD2' HG12 ' A' ' 55' ' ' VAL . 46.3 m-85 -122.33 3.87 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.530000000000001 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 60.93 51.85 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 65.140000000000001 109.581 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.455 HG11 ' HB ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.44 164.84 19.33 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.340000000000003 109.261 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.98 151.28 39.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 54.229999999999997 111.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.8 t -120.19 172.24 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 62.25 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.582 HD11 ' CZ2' ' A' ' 133' ' ' TRP . 10.3 mt -137.74 141.14 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 62.020000000000003 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 7.3 ttpt -154.41 118.52 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.639 ' HB2' HD21 ' A' ' 46' ' ' LEU . 22.4 p90 -128.97 170.29 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 75.129999999999995 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.585 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 8.6 mtp180 -140.69 141.41 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 72.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.976 ' O ' HD12 ' A' ' 79' ' ' LEU . 73.0 mt -86.52 137.77 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.209999999999994 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.585 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 90.1 m95 -129.43 172.85 11.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.230000000000004 108.017 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.974 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -142.67 97.34 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 71.329999999999998 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -67.9 123.24 20.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -119.01 113.47 21.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 53.420000000000002 109.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.58 34.81 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 42.020000000000003 110.396 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -51.83 -44.41 63.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.549999999999997 110.301 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.655 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.9 mt-10 -102.62 -2.91 27.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 75.310000000000002 110.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.62 48.29 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 45.340000000000003 109.271 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.728 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.78 -8.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 70.25 109.245 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.4 t 83.23 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.439999999999998 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.669 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -80.05 177.55 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 61.200000000000003 109.982 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.7 pp -170.54 163.49 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 71.010000000000005 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' SER . 54.7 ttt85 -155.31 142.38 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 53.219999999999999 110.251 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.976 HD12 ' O ' ' A' ' 65' ' ' LEU . 28.8 tp -66.7 136.82 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.323 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 67' ' ' SER . 90.3 mt -109.16 162.19 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 72.120000000000005 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -144.85 95.45 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 110.361 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.796 HD11 HD13 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -127.92 167.35 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.530000000000001 109.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 m -74.54 -168.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 110.037 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' GLU . 56.5 m-20 -71.43 -54.16 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.239999999999995 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -38.33 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.200000000000003 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.678 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.7 mt-10 -88.33 -47.36 8.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 65.430000000000007 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.876 HD13 HD11 ' A' ' 65' ' ' LEU . 53.5 tp -54.67 -57.98 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 64.109999999999999 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.97 -30.38 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.120000000000005 110.3 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.6 t -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.109999999999999 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -123.38 -42.86 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.317 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 87' ' ' LEU . 14.7 mt -75.77 166.18 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 73.019999999999996 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.843 ' CG ' HD12 ' A' ' 143' ' ' LEU . 68.2 m-80 -121.7 97.17 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 64.109999999999999 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.51 -58.19 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.284 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.12 -85.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -114.0 -18.47 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 75.219999999999999 110.404 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' HD11 ' A' ' 140' ' ' ILE . 8.4 m-85 -61.27 173.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.430000000000007 111.005 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 98' ' ' VAL . 19.4 m -130.1 166.38 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 62.539999999999999 110.009 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 99' ' ' THR . 3.2 t -153.68 163.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.492 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -150.77 112.13 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 75.430000000000007 110.395 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.004 HD11 HG12 ' A' ' 109' ' ' VAL . 50.7 tp -80.1 129.36 34.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 73.310000000000002 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.040000000000006 109.994 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 71.219999999999999 109.973 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.004 HG12 HD11 ' A' ' 100' ' ' LEU . 2.2 t -142.56 136.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -138.05 146.82 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 110.999 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.835 ' CE1' HD13 ' A' ' 100' ' ' LEU . 99.1 m-85 -103.7 126.24 50.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 35.7 m-85 -103.61 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 111.038 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -70.15 134.35 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 97' ' ' SER . 2.7 m-80 -54.29 111.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 74.099999999999994 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 8.8 p-10 -139.56 47.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.2 p -92.62 -46.41 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 74.530000000000001 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -105.07 78.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.908 HG22 ' OH ' ' A' ' 129' ' ' TYR . 4.5 m -80.96 -56.7 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 51.350000000000001 110.409 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.75 -14.35 39.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 54.310000000000002 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 9.4 m-20 -94.4 -69.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 41.149999999999999 109.306 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.808 ' HB ' HD13 ' A' ' 136' ' ' LEU . 8.9 p -81.62 -54.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.530000000000001 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.569 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 83.43 -16.97 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 63.299999999999997 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.6 p -38.73 142.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 60.350000000000001 110.05 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.83 -179.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 109.332 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 2' ' ' LEU . 19.3 t -84.69 -8.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 61.549999999999997 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.3 -67.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 64.530000000000001 110.296 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -115.89 47.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.573 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.908 ' OH ' HG22 ' A' ' 118' ' ' THR . 2.9 t80 -73.21 -42.74 62.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.5 mm? -68.79 -22.81 64.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -90.12 -33.09 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 73.030000000000001 110.393 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -89.09 -16.75 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 74.200000000000003 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.582 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 76.5 t90 -86.18 -37.64 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 108.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.958 HD13 ' CG1' ' A' ' 14' ' ' VAL . 7.3 tp -61.4 -47.62 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 61.43 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.622 ' HA ' HG22 ' A' ' 138' ' ' ILE . 2.8 t -72.61 0.1 11.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 75.019999999999996 110.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.808 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -94.98 -43.61 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 52.32 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.793 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -94.42 -45.65 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 73.099999999999994 111.044 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.92 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.9 tp -46.75 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 72.510000000000005 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 137' ' ' TYR . 19.0 mtp180 -64.28 -40.93 96.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 62.43 110.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.565 HD11 ' CD2' ' A' ' 96' ' ' PHE . 32.4 mt -62.59 -11.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.689 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.8 m-85 -107.54 -38.38 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -148.85 122.15 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 61.409999999999997 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.843 HD12 ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -97.71 3.92 50.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 63.030000000000001 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.06 -13.6 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 73.099999999999994 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -94.37 105.19 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 110.999 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.21 98.61 40.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 62.530000000000001 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.864 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.534 1.807 . . . . 72.219999999999999 110.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.493 0.187 . . . . 72.219999999999999 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 7' ' ' TYR . 11.9 tp -50.47 105.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 44.130000000000003 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.479 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 58.4 p -76.22 -170.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.239999999999995 110.374 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.89 -46.01 3.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 61.420000000000002 109.277 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.02 -7.96 19.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 71.439999999999998 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HB3' HD12 ' A' ' 2' ' ' LEU . 5.5 mm-40 -88.59 -44.3 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 72.129999999999995 110.263 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.849 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.06 -38.37 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 110.981 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.5 t-20 -63.0 -15.76 57.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 62.240000000000002 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.28 -28.23 47.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 65.109999999999999 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -106.89 12.5 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.209999999999994 110.29 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.779 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -57.45 -46.51 99.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 109.296 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 74.450000000000003 110.964 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 2.9 m-20 -93.45 -35.39 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 74.129999999999995 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 130' ' ' LEU . 54.0 t -69.95 -44.84 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 65.129999999999995 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 19' ' ' THR . 19.4 ptt180 -71.12 -25.9 62.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.310000000000002 110.273 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 19' ' ' THR . 9.2 t -64.88 -39.78 94.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 50.520000000000003 109.966 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.7 pp -88.59 -33.65 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.310000000000002 109.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.91 ' N ' HD12 ' A' ' 17' ' ' LEU . 1.5 tp -62.09 -34.59 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 64.409999999999997 109.324 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 15' ' ' ARG . 1.6 p -58.73 -15.48 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 60.219999999999999 110.393 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 109.308 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.865 ' CH2' HG11 ' A' ' 38' ' ' VAL . 1.5 t90 -48.87 131.36 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 62.350000000000001 107.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.3 -1.54 53.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 75.120000000000005 109.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.67 -26.25 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 52.409999999999997 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' CE3' ' A' ' 21' ' ' TRP . 12.7 t -59.2 131.84 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 71.319999999999993 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -111.05 -28.79 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 53.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 148.03 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 72.319999999999993 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 36' ' ' LEU . 2.5 mm -139.78 113.21 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.099999999999994 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.868 ' O ' HD23 ' A' ' 34' ' ' LEU . 13.3 tt0 -141.43 156.08 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.049999999999997 110.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.23 161.93 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 71.25 109.282 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' C ' ' A' ' 33' ' ' GLY . 1.6 m -135.6 176.42 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.450000000000003 109.318 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.8 tt0 -72.39 93.27 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 110.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER 79.88 45.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 71.219999999999999 109.286 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.503 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 173.51 -168.81 41.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 111.004 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -153.9 149.29 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 71.430000000000007 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.447 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -130.04 112.83 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 72.400000000000006 110.264 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.765 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -118.72 146.88 44.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -104.35 95.04 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 64.510000000000005 109.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.865 HG11 ' CH2' ' A' ' 21' ' ' TRP . 11.1 t -82.52 148.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 44' ' ' THR . 1.9 mmt-85 -113.25 87.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 55.219999999999999 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 27.1 mt -63.39 -39.38 94.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -142.39 159.08 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 109.307 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -61.08 -13.97 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 62.219999999999999 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.07 13.49 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.430000000000007 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 66' ' ' TRP . 90.7 m -128.21 153.64 46.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 70.140000000000001 110.415 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 38' ' ' VAL . 1.4 tm? -137.67 132.36 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.838 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -119.16 104.68 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 51.100000000000001 109.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HB3' ' HE2' ' A' ' 49' ' ' HIS . 2.5 mt-10 -83.83 116.09 22.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 62.43 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 141' ' ' PHE . 5.0 tt -106.94 135.04 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 73.120000000000005 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.536 ' HE2' ' HB3' ' A' ' 47' ' ' GLU . 1.9 m170 -130.16 155.24 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 53.32 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -129.75 130.47 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 109.351 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 p90 -144.79 131.87 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.25 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 44.9 t80 -70.21 146.07 50.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.789 ' OD2' HG23 ' A' ' 55' ' ' VAL . 39.4 t0 -126.69 110.54 13.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 72.430000000000007 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 54' ' ' HIS . 4.0 m-70 -71.27 -6.66 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.450000000000003 109.564 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.789 HG23 ' OD2' ' A' ' 53' ' ' ASP . 64.2 t -59.58 -42.57 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 54.32 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.441 ' O ' HG22 ' A' ' 58' ' ' VAL . 44.2 m-85 -122.59 3.98 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 111.027 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 64.04 33.55 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 55.539999999999999 109.583 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -139.57 162.02 53.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 64.439999999999998 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.703 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 163.53 35.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 73.209999999999994 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -129.26 172.93 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 74.200000000000003 109.986 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.805 HD12 ' CD2' ' A' ' 137' ' ' TYR . 38.8 mt -140.24 127.45 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.010000000000005 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.92 128.11 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 71.209999999999994 109.287 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CD1' HD21 ' A' ' 46' ' ' LEU . 40.6 p90 -141.29 164.08 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.966 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -140.78 118.46 11.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 73.319999999999993 110.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.815 HD23 HD23 ' A' ' 46' ' ' LEU . 7.4 mt -64.31 144.67 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 64.439999999999998 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.625 ' O ' HG23 ' A' ' 44' ' ' THR . 95.3 m95 -126.92 158.0 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 61.420000000000002 107.977 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.732 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -128.35 97.7 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 75.510000000000005 109.978 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 125.73 27.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 75.299999999999997 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -121.79 112.84 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 61.439999999999998 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.49 31.99 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 53.020000000000003 110.402 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.07 -43.09 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 62.439999999999998 110.239 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.1 mt-10 -104.38 -14.0 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 74.209999999999994 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.56 50.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 63.210000000000001 109.338 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.828 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.54 -3.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.430000000000007 109.285 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t 73.51 45.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.409999999999997 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.828 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.08 176.46 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.219999999999999 109.973 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 77' ' ' LEU . 4.0 pp -172.2 160.72 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 71.530000000000001 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -155.29 138.65 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 72.209999999999994 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 64' ' ' ARG . 13.8 tp -56.43 132.85 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 74.519999999999996 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 ' HB2' ' A' ' 67' ' ' SER . 26.1 mt -95.27 146.09 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 HG21 ' A' ' 109' ' ' VAL . 1.3 p -139.07 92.28 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 64.439999999999998 110.385 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.893 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -125.66 167.52 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 54.539999999999999 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -60.7 -175.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 53.420000000000002 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -77.34 -34.49 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.120000000000005 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.9 m -56.81 -37.34 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 70.450000000000003 109.998 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.893 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.8 mt-10 -79.94 -45.16 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.239999999999995 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 65' ' ' LEU . 1.7 tp -61.42 -26.73 68.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.23 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 74.310000000000002 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.607 ' HB3' HD13 ' A' ' 90' ' ' ILE . 9.2 t -68.46 -27.27 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 50.420000000000002 109.981 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.71 ' N ' HD13 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -112.44 -44.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 70.239999999999995 109.342 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mt -86.9 171.12 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 73.340000000000003 109.324 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.77 ' O ' HG23 ' A' ' 140' ' ' ILE . 60.2 m-80 -129.2 103.74 7.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 63.130000000000003 109.273 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.91 -58.0 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 63.030000000000001 109.265 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.95 -91.35 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 21.129999999999999 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -116.27 -2.19 12.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 74.540000000000006 110.352 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 140' ' ' ILE . 10.9 m-85 -69.02 -171.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 65.230000000000004 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -146.76 148.86 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 109.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 113' ' ' ILE . 2.9 t -138.59 164.08 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 34.420000000000002 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.506 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -134.75 114.67 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.319999999999993 110.422 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.996 HD11 HG12 ' A' ' 109' ' ' VAL . 3.1 tp -90.44 121.88 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.120000000000005 109.325 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 34.140000000000001 109.984 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.96 -0.385 . . . . 70.040000000000006 109.96 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 100' ' ' LEU . 1.9 t -141.34 134.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.581 ' O ' HD12 ' A' ' 100' ' ' LEU . 2.0 m-85 -128.71 153.33 47.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.963 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.839 ' CE1' HD22 ' A' ' 100' ' ' LEU . 47.2 m-85 -115.28 79.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 110.984 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -68.41 108.58 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.310000000000002 110.953 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 98' ' ' VAL . 4.7 mt -68.96 136.06 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 73.439999999999998 109.253 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -55.72 110.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 50.509999999999998 109.339 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 7.4 p-10 -140.21 43.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 71.219999999999999 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.99 -55.57 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 71.329999999999998 108.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -96.98 46.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 51.450000000000003 109.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.681 HG22 ' OH ' ' A' ' 129' ' ' TYR . 0.9 OUTLIER -67.81 -44.84 76.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 62.32 110.41 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -29.83 49.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 75.409999999999997 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.51 -23.8 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 54.329999999999998 109.323 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -79.25 -69.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 74.519999999999996 109.291 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 1.008 HG22 HD13 ' A' ' 136' ' ' LEU . 2.9 t -77.38 -65.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.261 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.28 -23.11 16.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 54.100000000000001 110.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.6 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 11.2 t -38.23 139.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 51.210000000000001 110.007 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.81 161.04 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.319999999999993 109.335 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.716 HG23 HD13 ' A' ' 2' ' ' LEU . 2.0 p -67.76 -9.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -53.55 -67.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 72.049999999999997 110.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.408 ' O ' ' OG1' ' A' ' 131' ' ' THR . 20.1 m-70 -124.38 48.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 53.210000000000001 109.564 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.681 ' OH ' HG22 ' A' ' 118' ' ' THR . 6.0 t80 -77.71 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 64.5 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.915 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.5 mm? -38.09 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 75.109999999999999 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' TYR . 25.8 p -81.91 -50.28 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 110.384 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.8 tpt85 -67.66 -54.81 16.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.66 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 58.1 t90 -40.82 -64.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.994 -1.113 . . . . 65.129999999999995 107.994 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' ILE . 6.3 tp -53.97 -51.74 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 70.349999999999994 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 134' ' ' ILE . 27.7 t -56.04 -16.57 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 109.991 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.008 HD13 HG22 ' A' ' 122' ' ' VAL . 2.6 tt -96.52 -31.53 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.540000000000006 109.277 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.805 ' CD2' HD12 ' A' ' 61' ' ' ILE . 13.3 m-85 -94.17 -1.87 53.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 75.329999999999998 111.028 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 145' ' ' PHE . 4.7 tp -86.97 -19.72 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 63.530000000000001 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -74.41 -5.65 43.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 73.030000000000001 110.294 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.77 HG23 ' O ' ' A' ' 92' ' ' ASN . 13.6 mt -93.55 -9.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 73.510000000000005 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 48' ' ' LEU . 87.7 m-85 -118.58 -34.05 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 53.439999999999998 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -148.21 119.65 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.329999999999998 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 92' ' ' ASN . 3.6 mt -96.84 2.72 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.319999999999993 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.86 -11.27 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.3 OUTLIER -108.39 107.09 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.230000000000004 111.008 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.81 102.12 54.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 71.310000000000002 109.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.572 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.468 1.772 . . . . 72.530000000000001 110.957 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.503 0.192 . . . . 70.200000000000003 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 7' ' ' TYR . 6.9 tp -50.81 100.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.530000000000001 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.51 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 73.9 p -73.8 -167.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.319999999999993 110.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.4 tm? -76.34 -45.45 3.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 74.219999999999999 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.01 -10.77 21.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 72.519999999999996 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.7 mm-40 -88.41 -35.06 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.758 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.84 -20.89 24.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 71.510000000000005 111.007 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.82 -17.06 54.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.25 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.61 -22.81 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 18.6 mt-30 -114.82 12.96 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 62.520000000000003 110.295 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.96 -44.11 99.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 64.340000000000003 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.94 0.07 9.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 64.329999999999998 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.87 -37.06 11.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 65.019999999999996 109.295 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 130' ' ' LEU . 55.6 t -68.96 -55.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 61.310000000000002 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.817 ' O ' HG23 ' A' ' 19' ' ' THR . 5.2 ptt85 -57.59 -30.05 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -58.43 -52.64 64.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 75.239999999999995 109.978 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.974 HD13 ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -78.83 -23.69 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 71.439999999999998 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 18' ' ' LEU . 6.3 tp -60.66 -27.57 67.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 71.140000000000001 109.259 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.7 p -62.28 -23.28 66.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.099999999999994 110.427 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.25 -14.91 62.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.583 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -68.67 115.86 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 64.450000000000003 107.996 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.65 -13.64 44.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 55.25 109.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -82.78 -22.68 34.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 73.129999999999995 109.287 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 38' ' ' VAL . 20.3 t -73.45 118.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.219999999999999 109.262 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -91.73 -27.61 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 71.510000000000005 110.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.76 132.21 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 70.420000000000002 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.4 mm -112.14 103.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 72.409999999999997 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 7.1 tt0 -122.4 151.4 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 110.307 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -119.75 157.71 28.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 61.240000000000002 109.302 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG22 ' N ' ' A' ' 34' ' ' LEU . 15.9 m -122.36 174.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 71.25 109.28 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.92 28.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 110.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -169.12 33.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.430000000000007 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 142.6 -119.19 1.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 52.039999999999999 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -162.26 172.92 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 71.129999999999995 109.325 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.773 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.4 tm0? -157.07 106.56 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 52.039999999999999 110.339 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.45 171.84 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 43.439999999999998 109.255 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -129.31 95.34 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 70.219999999999999 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 24' ' ' VAL . 2.2 t -88.13 141.33 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 2.8 mmt-85 -97.42 78.08 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.043 HD13 HD12 ' A' ' 90' ' ' ILE . 12.9 mt -51.74 -31.34 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.120000000000005 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.6 ttmt -157.98 159.56 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 70.109999999999999 109.277 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.39 -14.78 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 75.400000000000006 110.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.05 17.96 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.448 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 12.5 m -135.93 134.23 38.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.439999999999998 110.4 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.017 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -124.66 125.73 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.017 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -111.87 116.38 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 71.239999999999995 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.709 ' OE2' HD21 ' A' ' 45' ' ' LEU . 2.3 mp0 -100.34 121.58 41.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.5 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.821 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -101.35 127.36 48.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 11.5 m170 -120.4 102.83 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 14.7 tt -85.69 136.21 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 33.1 p90 -152.66 172.65 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 1.8 t80 -109.8 141.19 42.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 111.019 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.64 123.17 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 70.299999999999997 109.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.18 3.81 47.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 62.030000000000001 109.581 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.938 HG13 ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -101.16 -31.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 74.219999999999999 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.938 ' CD2' HG13 ' A' ' 55' ' ' VAL . 55.8 m-85 -116.92 -13.51 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.442 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 11.6 m-70 60.61 53.13 4.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 73.400000000000006 109.594 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.4 164.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 65.310000000000002 109.258 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.613 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -75.02 148.2 34.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 54.140000000000001 111.009 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 m -133.19 174.23 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 53.420000000000002 109.963 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 9.7 mt -135.98 131.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.120000000000005 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 11.3 ttpt -143.29 118.58 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 75.420000000000002 109.257 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 91' ' ' LEU . 54.0 p90 -138.24 159.99 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.991 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.953 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -132.14 133.54 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 110.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.0 mt -72.07 141.93 49.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 72.349999999999994 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' A' ' 77' ' ' LEU . 95.2 m95 -127.54 153.7 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 72.129999999999995 107.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.656 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -125.88 97.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -69.08 124.93 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.209999999999994 109.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.63 114.02 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.39 34.65 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 61.43 110.391 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -36.04 67.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 110.328 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.661 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.09 -1.94 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 54.549999999999997 110.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.56 48.27 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.89 -6.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.510000000000005 109.297 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.7 t 78.45 50.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.709 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -87.02 177.81 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 40.240000000000002 110.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.622 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.07 162.85 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 74.010000000000005 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.68 131.92 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 75.120000000000005 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 64' ' ' ARG . 7.5 tp -51.16 136.88 23.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 72.420000000000002 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.9 mt -100.76 154.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.329999999999998 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -143.43 88.39 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 62.5 110.374 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -121.96 167.14 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 74.150000000000006 109.258 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -66.68 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 74.25 109.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -21.3 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 60.43 109.314 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.5 m -64.47 -32.93 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.98 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.819 ' HB2' HD13 ' A' ' 82' ' ' LEU . 5.3 mt-10 -89.02 -46.99 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 110.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 87' ' ' LEU . 2.6 tt -55.7 -50.89 69.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.030000000000001 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.496 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -58.84 -16.19 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 73.25 110.302 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 1.8 t -64.46 -27.32 68.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 71.349999999999994 109.974 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.043 HD12 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -112.67 -33.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 54.049999999999997 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 63' ' ' PHE . 11.9 mt -94.22 173.26 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 72.430000000000007 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.838 ' O ' HG23 ' A' ' 140' ' ' ILE . 63.5 m-80 -135.06 105.0 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 64.140000000000001 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.608 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.87 -57.99 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.219999999999999 109.361 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 53.41 -88.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 111.021 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.2 t -106.52 20.32 19.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 61.130000000000003 110.41 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.74 162.7 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.209999999999994 111.03 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -129.16 158.88 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 64.340000000000003 109.99 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 99' ' ' THR . 7.4 p -138.91 169.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 98' ' ' VAL . 2.3 m -143.05 117.01 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 51.119999999999997 110.383 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.023 HD12 ' O ' ' A' ' 110' ' ' TYR . 22.0 tp -97.5 120.98 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 70.25 109.257 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.696 ' O ' HG13 ' A' ' 109' ' ' VAL . 5.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 74.450000000000003 109.949 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.976 -0.379 . . . . 75.349999999999994 109.976 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 101' ' ' SER . 3.0 t -143.46 136.42 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 71.349999999999994 109.285 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 1.023 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.6 m-85 -119.97 157.96 27.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 74.340000000000003 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.897 ' CD1' HD13 ' A' ' 100' ' ' LEU . 44.2 m-85 -110.98 77.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.409999999999997 111.046 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 75.3 m-85 -65.85 113.25 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.219999999999999 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.439 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.4 mt -70.84 141.96 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.68 111.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 109.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.2 t30 -136.53 35.9 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 41.210000000000001 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.95 -55.5 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 51.5 108.288 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -133.54 93.77 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 72.140000000000001 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.49 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -83.17 -42.55 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 73.109999999999999 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.17 -31.7 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.32 -13.59 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.109999999999999 109.329 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.010000000000005 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.564 HG13 ' N ' ' A' ' 123' ' ' GLY . 12.1 p -79.88 -55.12 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.420000000000002 109.271 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.564 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 76.19 -5.65 40.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.0 m -38.24 142.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 73.349999999999994 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.22 157.4 16.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 62.009999999999998 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.53 -11.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 53.229999999999997 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 78.0 mt-10 -63.04 -68.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 54.340000000000003 110.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 46.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.150000000000006 109.617 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.612 ' HD2' HD22 ' A' ' 2' ' ' LEU . 4.1 t80 -75.72 -41.07 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.857 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.2 mm? -70.46 -18.32 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 72.439999999999998 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.7 p -90.32 -47.74 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 61.140000000000001 110.39 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.84 -45.55 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 75.099999999999994 110.332 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 79.0 t90 -52.42 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 71.329999999999998 108.032 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.62 HG12 HG13 ' A' ' 14' ' ' VAL . 5.7 tp -53.94 -55.81 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 75.530000000000001 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.539 ' N ' HG23 ' A' ' 134' ' ' ILE . 17.8 t -57.07 -15.27 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 41.43 110.051 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -94.03 -33.51 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.271 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 12.1 m-85 -94.6 -3.09 50.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 75.150000000000006 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 145' ' ' PHE . 4.7 tp -81.68 -20.34 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 72.549999999999997 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -76.87 -5.82 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 110.304 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 92' ' ' ASN . 19.0 mt -92.99 -10.19 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 63.399999999999999 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.821 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 84.5 m-85 -119.39 -33.33 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 51.340000000000003 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 49.7 t0 -147.63 112.24 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 63.109999999999999 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 92' ' ' ASN . 1.3 mt -86.05 3.03 44.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 73.040000000000006 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -111.38 -15.04 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.299999999999997 109.322 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 138' ' ' ILE . 25.6 t80 -71.89 111.02 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 72.540000000000006 111.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.31 112.35 59.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 61.109999999999999 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.974 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 71.329999999999998 110.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.495 0.188 . . . . 73.200000000000003 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 7' ' ' TYR . 13.3 tp -50.76 110.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 64.3 p -78.86 -171.19 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 71.099999999999994 110.44 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.936 HD23 ' CE1' ' A' ' 54' ' ' HIS . 0.6 OUTLIER -75.5 -45.7 4.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 71.420000000000002 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -7.32 19.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.558 1.82 . . . . 71.430000000000007 110.962 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB3' HD12 ' A' ' 2' ' ' LEU . 4.2 mm-40 -88.3 -41.26 13.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 62.530000000000001 110.312 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.845 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.6 -35.84 22.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 63.450000000000003 111.043 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.579 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.2 t-20 -66.06 -23.78 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 74.049999999999997 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -68.92 -25.2 64.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 70.319999999999993 110.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.448 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 3.7 mt-30 -114.37 15.24 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.845 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -63.92 -46.42 81.23 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 109.3 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.96 -0.04 9.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 73.420000000000002 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.3 m-20 -89.48 -33.93 16.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.692 HG12 HD23 ' A' ' 18' ' ' LEU . 72.8 t -73.52 -44.13 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 51.219999999999999 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HD2' HD21 ' A' ' 34' ' ' LEU . 4.0 ptm180 -68.47 -19.11 64.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 64.430000000000007 110.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 t -77.25 -42.98 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 52.240000000000002 110.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.04 HD21 HG21 ' A' ' 134' ' ' ILE . 2.3 pp -78.61 -25.59 45.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.692 HD23 HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -58.18 -19.33 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.409999999999997 109.328 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 p -64.78 -11.26 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 54.329999999999998 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -85.05 -19.25 32.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 70.299999999999997 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.698 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.5 t90 -70.46 119.0 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 75.329999999999998 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.47 -1.85 58.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 53.210000000000001 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 2.4 mtpp -93.51 -26.35 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 70.120000000000005 109.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG23 ' CE3' ' A' ' 21' ' ' TRP . 26.2 t -65.24 129.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 61.409999999999997 109.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -112.81 -20.91 11.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.329999999999998 110.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 11.5 ttt-85 -133.6 151.21 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 74.409999999999997 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -139.27 111.53 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.299999999999997 109.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 10.8 tt0 -146.75 153.5 40.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 72.129999999999995 110.29 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.621 ' HA ' HD23 ' A' ' 34' ' ' LEU . 6.2 t70 -112.26 166.16 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 73.109999999999999 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.8 m -138.15 -178.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 63.530000000000001 109.303 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.3 tt0 -78.95 93.91 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 44.32 110.344 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 81.42 43.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 65.040000000000006 109.313 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 170.68 -170.07 42.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 41.310000000000002 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -148.12 146.01 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 55.009999999999998 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -123.01 117.61 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 110.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.816 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -125.12 149.51 47.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 73.140000000000001 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 69.8 m-20 -101.91 95.15 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 73.120000000000005 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.69 HG12 HD12 ' A' ' 40' ' ' LEU . 21.8 t -78.2 111.82 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.516 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -85.17 88.82 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 75.030000000000001 110.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' ' 46' ' ' LEU . 11.2 mp -69.72 -50.16 46.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 74.519999999999996 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 18.7 ttmt -133.81 153.52 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 62.240000000000002 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -61.0 -14.95 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 51.140000000000001 110.421 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' LEU . 76.3 m-20 -122.44 15.9 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 66' ' ' TRP . 53.3 m -139.4 149.59 44.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.4 tm? -140.16 136.01 33.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 75.340000000000003 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 65' ' ' LEU . 2.3 tm? -126.04 102.06 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.672 ' HG3' HD11 ' A' ' 45' ' ' LEU . 18.0 mt-10 -79.73 121.85 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 32.43 110.327 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.8 tt -108.96 140.66 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -135.22 107.25 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 60.43 109.563 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 5.9 tt -85.33 127.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 61.030000000000001 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 6.4 p90 -142.76 136.57 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 54.210000000000001 111.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CE2' ' O ' ' A' ' 3' ' ' THR . 3.9 t80 -82.89 144.47 30.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 72.209999999999994 110.981 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.737 ' OD2' HG23 ' A' ' 55' ' ' VAL . 38.2 t0 -120.24 123.82 44.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 75.120000000000005 109.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.936 ' CE1' HD23 ' A' ' 4' ' ' LEU . 2.6 m-70 -79.44 1.38 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 61.420000000000002 109.571 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.737 HG23 ' OD2' ' A' ' 53' ' ' ASP . 85.1 t -66.84 -45.96 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 74.099999999999994 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.428 ' C ' HG22 ' A' ' 58' ' ' VAL . 53.2 m-85 -122.08 8.72 9.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.129999999999995 111.004 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 56.98 46.35 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 61.43 109.599 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG22 ' C ' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -149.31 163.29 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.230000000000004 109.257 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -75.03 160.01 40.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 73.129999999999995 111.026 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 67.2 m -126.73 -177.51 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 65.5 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.852 HD11 ' HB2' ' A' ' 137' ' ' TYR . 10.8 mt -138.03 135.61 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.019999999999996 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -155.72 115.98 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 62.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.723 ' CD1' HD21 ' A' ' 46' ' ' LEU . 11.4 p90 -141.88 171.09 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.450000000000003 111.014 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.625 ' O ' HD22 ' A' ' 46' ' ' LEU . 9.2 mtp180 -137.47 144.39 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.530000000000001 110.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.013 HD11 HD13 ' A' ' 87' ' ' LEU . 85.6 mt -87.94 148.17 24.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 73.420000000000002 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.583 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 88.1 m95 -140.39 162.47 35.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.5 107.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.723 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -133.3 97.91 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.120000000000005 110.007 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.03 124.2 22.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 61.43 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.09 110.94 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 43.140000000000001 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.32 31.21 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 54.32 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -43.17 -42.22 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 73.430000000000007 110.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' HB2' HG23 ' A' ' 74' ' ' ILE . 3.7 mt-10 -105.88 -13.65 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 73.230000000000004 110.362 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.85 50.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -111.87 -7.97 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.209999999999994 109.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.9 t 78.04 38.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 71.310000000000002 109.992 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -75.29 175.14 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 110.005 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.6 pp -167.25 162.66 15.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 109.305 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' SER . 20.0 ttp-105 -154.12 135.5 14.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 72.530000000000001 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.948 HD12 ' O ' ' A' ' 65' ' ' LEU . 16.0 tp -53.74 132.53 41.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.400000000000006 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 67' ' ' SER . 32.6 mt -99.94 162.62 12.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -156.52 116.91 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 72.219999999999999 110.394 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -145.45 167.14 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -62.72 -168.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 71.310000000000002 109.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.07 -52.64 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t -62.37 -31.83 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 63.020000000000003 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 2.3 mm-40 -68.37 -30.08 68.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 62.32 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.013 HD13 HD11 ' A' ' 65' ' ' LEU . 7.4 tp -87.9 -31.71 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.299999999999997 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -23.65 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 72.120000000000005 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -54.18 -19.72 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 65.200000000000003 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.27 -43.77 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.010000000000005 109.337 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.87 HD12 HD21 ' A' ' 87' ' ' LEU . 10.4 mt -80.66 -179.84 7.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 53.210000000000001 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.705 ' CG ' HD12 ' A' ' 143' ' ' LEU . 67.5 m-80 -142.61 100.01 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 44.340000000000003 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.629 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.93 -58.18 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 64.420000000000002 109.291 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.28 -88.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 63.340000000000003 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -112.66 -10.3 13.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 75.329999999999998 110.387 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -71.49 -171.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 70.099999999999994 110.953 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.6 m -151.67 158.28 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.420000000000002 110.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 99' ' ' THR . 2.7 p -142.61 164.46 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 73.409999999999997 109.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.485 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -130.29 117.28 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 73.450000000000003 110.404 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.88 HD12 ' CE1' ' A' ' 111' ' ' TYR . 4.1 tt -102.27 125.83 49.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 62.240000000000002 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.688 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.965 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.002 -0.37 . . . . 45.140000000000001 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.871 ' CG1' HD21 ' A' ' 100' ' ' LEU . 2.3 t -144.59 141.96 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.540000000000006 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -139.31 -178.21 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.209999999999994 111.015 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.88 ' CE1' HD12 ' A' ' 100' ' ' LEU . 20.1 m-85 -137.91 81.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 26.9 m-85 -77.77 97.38 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 71.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.658 HD12 HG21 ' A' ' 61' ' ' ILE . 27.6 mt -58.67 153.85 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 61.119999999999997 109.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.555 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -75.39 106.07 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.25 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -128.79 17.51 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -61.27 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.109999999999999 108.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.443 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 3.2 m-20 -96.56 57.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 73.329999999999998 109.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -83.18 -6.02 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.200000000000003 110.392 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.56 -39.65 73.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.093 . . . . 72.030000000000001 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.6 -11.11 49.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.232 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 1.0 OUTLIER -66.89 -69.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 72.340000000000003 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.906 HG22 HD13 ' A' ' 136' ' ' LEU . 1.9 t -97.36 -65.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 62.119999999999997 109.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 36.79 31.9 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 44.229999999999997 111.054 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' VAL . 88.8 p -83.61 -75.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 71.319999999999993 110.031 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.404 ' N ' ' OG ' ' A' ' 124' ' ' SER . 1.1 t0 -153.26 133.48 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 75.140000000000001 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.721 HG13 ' CD1' ' A' ' 2' ' ' LEU . 82.8 t -63.76 -15.96 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 62.43 109.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.19 -67.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 62.229999999999997 110.283 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.05 46.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 109.607 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 4.0 t80 -78.14 -40.38 38.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 73.219999999999999 111.021 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.4 mm? -68.91 -22.58 64.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 81.9 p -89.92 -32.54 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 60.409999999999997 110.405 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.443 ' HG3' HG13 ' A' ' 122' ' ' VAL . 29.4 tpt85 -90.12 -16.4 29.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 71.030000000000001 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.522 ' CE2' ' HG2' ' A' ' 59' ' ' PRO . 61.3 t90 -85.83 -43.65 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 73.019999999999996 108.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 1.04 HG21 HD21 ' A' ' 17' ' ' LEU . 6.6 tp -55.27 -48.42 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 74.129999999999995 109.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.552 ' HA ' HG22 ' A' ' 138' ' ' ILE . 0.5 OUTLIER -75.44 -0.84 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.906 HD13 HG22 ' A' ' 122' ' ' VAL . 6.9 tt -99.64 -38.62 8.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 71.099999999999994 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.852 ' HB2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -92.87 -43.0 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 111.012 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.698 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 7.1 tp -53.93 -20.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 61.020000000000003 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 135' ' ' SER . 14.4 mtp180 -64.34 -8.23 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.150000000000006 110.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 137' ' ' TYR . 1.2 mm -85.13 -10.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 62.509999999999998 109.342 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 141' ' ' PHE . 2.9 m-85 -122.27 -38.13 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 111.005 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.417 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 5.7 t0 -134.74 114.99 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 74.5 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.705 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.0 mt -97.86 3.18 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 44.32 109.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -113.65 -11.29 12.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -71.43 112.16 7.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 74.420000000000002 111.017 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.74 106.37 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.965 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 65.200000000000003 111.027 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.533 0.206 . . . . 75.030000000000001 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.758 HD13 HG13 ' A' ' 126' ' ' VAL . 13.7 tp -63.36 104.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 71.400000000000006 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 80.8 p -73.67 -170.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.409999999999997 110.429 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -75.91 -45.39 3.94 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 73.120000000000005 109.275 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -11.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 75.430000000000007 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 80.2 mt-10 -87.85 -33.44 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 74.400000000000006 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.798 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.49 -23.32 23.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.519999999999996 111.029 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -75.43 -16.89 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.278 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.83 -22.83 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 73.150000000000006 110.333 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.474 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 30.3 mt-30 -116.33 14.28 15.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 74.420000000000002 110.255 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.766 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -61.15 -45.39 95.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 71.450000000000003 109.285 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.95 -0.2 9.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 51.140000000000001 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 7.6 m-20 -93.78 -33.03 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.897 ' CG1' HD13 ' A' ' 134' ' ' ILE . 69.7 t -78.43 -44.57 26.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 72.109999999999999 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 13.0 ptt85 -66.02 -19.23 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 73.530000000000001 110.32 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 19' ' ' THR . 12.7 t -74.32 -56.96 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 50.229999999999997 109.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.965 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.6 pp -66.69 -22.67 66.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 71.129999999999995 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.751 HD12 HD22 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -58.57 -22.32 55.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.010000000000005 109.292 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 16' ' ' SER . 61.9 p -66.84 -8.51 29.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.44 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 13.6 mtpp -81.62 -18.68 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 70.299999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -75.58 118.64 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 108.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.5 -18.66 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 50.32 109.266 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -74.02 -17.41 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 38' ' ' VAL . 25.0 t -80.89 117.43 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.22 -30.09 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 63.399999999999999 110.279 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.13 135.99 49.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.530000000000001 110.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.436 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.7 mm -119.62 107.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 65.129999999999995 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 8.0 tt0 -128.07 147.95 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 61.039999999999999 110.318 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 142.96 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 52.32 109.292 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 34' ' ' LEU . 16.8 m -111.14 171.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 72.230000000000004 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.51 36.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 60.130000000000003 110.263 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 178.66 39.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.806 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 142.81 -125.43 2.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 65.239999999999995 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -168.69 151.27 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 63.130000000000003 109.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 1.9 tm0? -130.56 108.02 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 110.304 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -109.68 170.89 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 62.119999999999997 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.636 ' OD1' HD21 ' A' ' 45' ' ' LEU . 8.7 t70 -128.4 95.53 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 72.019999999999996 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.657 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 2.3 t -92.25 136.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.567 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -95.31 79.21 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.298 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.976 ' CD1' HD12 ' A' ' 90' ' ' ILE . 9.6 mt -53.46 -35.37 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 64.439999999999998 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 11.1 ttmt -149.08 158.23 44.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.329999999999998 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -58.05 -16.33 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 110.396 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.73 25.06 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.420000000000002 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 17.4 m -140.54 133.67 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 43.009999999999998 110.43 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.988 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -119.22 125.15 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.439999999999998 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.988 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.1 tm? -102.82 97.4 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 70.420000000000002 109.336 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -74.24 100.61 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.349999999999994 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.668 HD12 HD13 ' A' ' 36' ' ' LEU . 2.3 tm? -93.68 123.31 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 62.420000000000002 109.306 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.56 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -128.29 117.73 21.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.230000000000004 109.628 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.531 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.9 tt -89.89 144.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 4.7 p90 -160.35 150.99 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 74.519999999999996 111.006 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -104.75 156.97 17.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 110.985 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 4.7 t0 -117.26 131.29 56.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.530000000000001 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.44 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -88.18 3.54 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.329999999999998 109.606 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.5 t -100.26 -26.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.510000000000005 109.285 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' O ' HG22 ' A' ' 58' ' ' VAL . 51.4 m-85 -110.45 -15.54 13.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 70.040000000000006 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 60.84 40.93 15.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 63.43 109.581 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.695 HG11 HG22 ' A' ' 118' ' ' THR . 0.0 OUTLIER -151.89 164.19 21.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 61.119999999999997 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.545 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 23.1 t -142.62 -179.95 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 109.961 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.964 HD12 ' CD2' ' A' ' 137' ' ' TYR . 68.3 mt -148.7 143.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 64.129999999999995 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -152.01 136.54 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 109.309 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.701 ' CD2' HD21 ' A' ' 46' ' ' LEU . 55.7 p90 -152.42 165.86 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 72.530000000000001 111.02 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.617 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -143.09 112.86 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 63.329999999999998 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 79' ' ' LEU . 75.2 mt -48.03 149.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 43.340000000000003 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.679 ' CE3' HD13 ' A' ' 77' ' ' LEU . 98.5 m95 -136.01 151.73 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 73.439999999999998 107.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.576 ' HB2' HD11 ' A' ' 80' ' ' LEU . 29.5 t -122.68 96.92 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 64.010000000000005 110.033 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -65.82 123.67 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 64.230000000000004 109.296 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.53 113.12 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 109.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.49 36.76 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 63.539999999999999 110.39 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.44 -40.08 64.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 71.310000000000002 110.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.62 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.28 -2.46 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 74.400000000000006 110.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.85 49.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 72.219999999999999 109.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.4 -9.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 45.420000000000002 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.87 42.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 74.409999999999997 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.788 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -80.56 175.54 10.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 110.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.6 pp -164.42 169.04 17.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.84 126.42 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.439999999999998 110.306 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 5.8 tp -60.34 125.04 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 63.25 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.2 mt -95.15 162.62 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 65.439999999999998 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.422 HG23 HG11 ' A' ' 109' ' ' VAL . 2.3 m -152.19 86.19 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 74.450000000000003 110.466 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.827 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -114.26 167.54 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 74.310000000000002 109.321 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 m -61.93 -170.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.006 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.84 -23.36 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 109.256 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -64.0 -33.54 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 64.409999999999997 109.986 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.827 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.0 mt-10 -89.81 -41.22 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.120000000000005 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.87 -40.14 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 52.130000000000003 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -66.22 -25.8 67.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 73.120000000000005 110.274 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -50.75 -21.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 43.43 110.005 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.976 HD12 ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 -41.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.120000000000005 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 16.0 mt -82.49 -179.59 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 72.540000000000006 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.579 ' CG ' HD12 ' A' ' 143' ' ' LEU . 70.3 m-80 -139.8 103.09 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.230000000000004 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.55 -58.17 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 71.409999999999997 109.333 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.31 -81.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 65.230000000000004 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.9 t -112.91 -21.32 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 74.299999999999997 110.383 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.42 -171.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.985 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 m -152.18 165.67 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.310000000000002 110.001 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 99' ' ' THR . 5.9 p -140.88 167.96 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.25 109.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -137.04 110.33 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 52.030000000000001 110.419 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.877 HD21 ' CG1' ' A' ' 109' ' ' VAL . 3.7 tt -91.26 129.18 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.806 ' N ' HD23 ' A' ' 100' ' ' LEU . 16.8 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 62.25 110.003 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.04 -0.356 . . . . 71.129999999999995 110.04 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.877 ' CG1' HD21 ' A' ' 100' ' ' LEU . 13.0 t -148.55 167.33 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 72.319999999999993 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 109' ' ' VAL . 2.3 m-85 -157.93 166.04 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 73.010000000000005 110.993 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.868 ' CE1' HD12 ' A' ' 100' ' ' LEU . 42.4 m-85 -134.21 79.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 62' ' ' LYS . 96.3 m-85 -75.02 117.77 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 111.038 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.568 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.0 mt -71.07 136.44 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 63.149999999999999 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.464 ' N ' HD22 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -56.53 111.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.230000000000004 109.288 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.497 ' CB ' ' OH ' ' A' ' 137' ' ' TYR . 4.7 p-10 -139.22 18.32 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 62.310000000000002 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.5 p -52.81 -46.86 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 61.030000000000001 108.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.86 89.3 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.307 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.695 HG22 HG11 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -81.5 -32.12 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 74.519999999999996 110.394 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -61.85 -26.45 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.349 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.46 -12.07 47.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 55.130000000000003 109.281 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -88.49 -68.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 75.400000000000006 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.818 ' HB ' HD22 ' A' ' 136' ' ' LEU . 7.4 p -99.62 -53.7 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 64.510000000000005 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.551 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 36.23 40.01 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 24.329999999999998 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.4 m -73.84 -80.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 73.129999999999995 110.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -161.57 147.01 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 72.310000000000002 109.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.758 HG13 HD13 ' A' ' 2' ' ' LEU . 18.7 t -67.7 -12.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 61.439999999999998 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.406 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 38.5 mt-10 -59.12 -67.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 70.310000000000002 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -119.83 46.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.099999999999994 109.592 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 122' ' ' VAL . 4.1 t80 -71.46 -37.81 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 64.319999999999993 111.047 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.798 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.2 mm? -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 70.540000000000006 109.32 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -88.12 -36.8 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.299999999999997 110.401 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -82.49 -16.2 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 71.209999999999994 110.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.61 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 75.4 t90 -87.11 -45.95 10.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 74.329999999999998 107.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.897 HD13 ' CG1' ' A' ' 14' ' ' VAL . 5.6 tp -56.39 -49.75 75.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 73.230000000000004 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 30.7 t -67.12 -4.39 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 54.329999999999998 109.945 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.818 HD22 ' HB ' ' A' ' 122' ' ' VAL . 1.4 tp -93.46 -54.47 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 72.340000000000003 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.964 ' CD2' HD12 ' A' ' 61' ' ' ILE . 9.7 m-85 -78.92 -46.46 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 134' ' ' ILE . 5.4 tp -49.36 -28.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 74.329999999999998 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 135' ' ' SER . 27.0 mtp180 -58.32 -36.91 74.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASN . 42.0 mt -64.49 -10.26 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 55.140000000000001 109.341 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.59 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.0 m-85 -113.73 -31.73 6.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 111.021 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.562 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.49 110.28 4.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 35.350000000000001 109.302 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.579 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.9 mt -92.64 3.64 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 71.530000000000001 109.264 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -106.46 -23.56 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 61.32 109.336 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.8 OUTLIER -92.14 109.44 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 110.975 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.2 98.56 51.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 70.409999999999997 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.965 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 64.420000000000002 110.992 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.478 0.18 . . . . 74.099999999999994 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.764 HD11 ' CA ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -55.84 145.3 24.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.513 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 32.4 p -65.91 -177.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 43.340000000000003 110.374 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.768 HD23 ' CD1' ' A' ' 52' ' ' TYR . 1.5 tm? -77.38 -44.07 2.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.099999999999994 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.95 -9.38 20.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 74.200000000000003 111.035 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 27.8 mm-40 -88.67 -36.71 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.510000000000005 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.764 ' CA ' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.33 -30.68 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 110.984 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.564 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 10.9 m-20 -73.17 -15.06 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 54.539999999999999 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -68.94 -23.14 64.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 73.340000000000003 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.74 18.61 15.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.345 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -64.12 -47.41 79.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 64.140000000000001 109.318 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 54.100000000000001 111.002 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.7 m-20 -91.11 -35.85 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 64.150000000000006 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.84 ' CG1' HD13 ' A' ' 134' ' ' ILE . 24.3 t -67.47 -54.83 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.916 ' O ' HG23 ' A' ' 19' ' ' THR . 27.2 ptt85 -64.83 -32.28 73.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -54.14 -42.43 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 71.329999999999998 110.061 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.918 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.5 pp -88.1 -32.66 18.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 74.299999999999997 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.918 ' N ' HD12 ' A' ' 17' ' ' LEU . 8.3 tp -57.2 -18.85 17.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 54.340000000000003 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 15' ' ' ARG . 68.3 p -59.38 -19.6 48.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 44.43 110.397 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -72.74 -24.39 60.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.200000000000003 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.699 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.7 t90 -57.43 126.83 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 107.988 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.99 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.400000000000006 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HB2' HG13 ' A' ' 38' ' ' VAL . 19.7 mtpp -81.13 -24.62 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.349999999999994 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.604 HG23 ' CE3' ' A' ' 21' ' ' TRP . 13.5 t -67.05 113.85 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 65.140000000000001 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.47 -36.76 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 62.32 110.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.09 147.35 49.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 74.019999999999996 110.355 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' CD1' HD23 ' A' ' 36' ' ' LEU . 1.8 mm -132.47 129.75 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' O ' HD23 ' A' ' 34' ' ' LEU . 6.9 tt0 -157.13 139.48 14.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 72.129999999999995 110.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' HA ' HD23 ' A' ' 34' ' ' LEU . 1.4 p-10 -102.82 154.61 19.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -130.43 172.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 62.049999999999997 109.288 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 2.9 pt20 -70.91 95.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 72.209999999999994 110.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER 76.33 52.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 74.519999999999996 109.327 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.1 -164.98 38.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.085 . . . . 62.32 111.029 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -159.03 142.03 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 75.400000000000006 109.317 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -127.68 113.98 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 72.329999999999998 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.795 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.84 164.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.430000000000007 109.304 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -119.97 95.34 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.304 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' CH2' ' A' ' 21' ' ' TRP . 11.9 t -84.75 126.99 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 63.25 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -90.9 84.79 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 64.329999999999998 110.341 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.846 HD13 ' CB ' ' A' ' 46' ' ' LEU . 7.4 mp -66.62 -40.33 88.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -139.61 154.16 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 62.32 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -59.48 -17.81 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.209999999999994 110.43 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 20.28 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.450000000000003 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 66' ' ' TRP . 18.0 m -137.87 144.71 41.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 70.329999999999998 110.424 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -132.18 136.18 46.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.338 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.846 ' CB ' HD13 ' A' ' 40' ' ' LEU . 2.2 tm? -114.5 102.3 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.150000000000006 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.28 104.09 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 71.049999999999997 110.265 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD12 ' CE2' ' A' ' 141' ' ' PHE . 0.5 OUTLIER -94.98 133.43 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 75.120000000000005 109.295 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.38 106.29 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.633 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 9.4 tt -85.0 135.24 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 109.329 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.589 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 22.2 p90 -150.27 135.31 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 74.019999999999996 111.042 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.768 ' CD1' HD23 ' A' ' 4' ' ' LEU . 40.7 t80 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 111.002 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.51 115.67 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.304 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -81.47 3.63 24.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 65.340000000000003 109.605 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.1 t -86.49 -40.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.23 -7.27 10.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 52' ' ' TYR . 53.9 m-70 65.64 45.84 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.592 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.78 157.95 53.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 54.329999999999998 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.4 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.769 . . . . 73.120000000000005 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 51' ' ' TYR . 22.9 t -117.99 170.74 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.519999999999996 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' ' CZ2' ' A' ' 133' ' ' TRP . 13.2 mt -138.55 124.12 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 73.439999999999998 109.274 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -137.99 120.47 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 62.539999999999999 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.689 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 42.3 p90 -130.17 148.01 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.329999999999998 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.6 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 10.4 mtm180 -123.99 118.37 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 110.292 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 79' ' ' LEU . 77.6 mt -63.21 142.56 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 73.540000000000006 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.0 m95 -135.23 151.77 50.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 72.010000000000005 107.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.784 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -123.91 97.6 5.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 53.530000000000001 110.005 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.83 123.08 19.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -120.92 113.5 20.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -108.47 37.73 2.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 110.403 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.25 -42.85 52.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 52.399999999999999 110.276 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.9 mt-10 -102.84 -8.41 20.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.420000000000002 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t70 81.62 43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.738 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -111.76 11.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 64.209999999999994 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.453 ' H ' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER 51.91 40.05 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.010000000000005 109.993 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.674 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -69.51 -178.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 52.520000000000003 109.98 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.49 163.03 6.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 64.310000000000002 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -155.23 130.88 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.140000000000001 110.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.722 HD21 ' HB ' ' A' ' 109' ' ' VAL . 7.3 tp -57.15 126.66 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 67' ' ' SER . 26.3 mt -93.17 145.74 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 75.340000000000003 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 m -135.99 94.72 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 110.404 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.842 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.33 167.18 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 73.310000000000002 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 p -72.83 -172.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 63.299999999999997 109.988 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' GLU . 5.1 t70 -68.92 -53.8 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 72.530000000000001 109.317 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m -38.81 -30.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 73.340000000000003 110.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 82' ' ' LEU . 2.1 mt-10 -89.4 -45.73 9.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 72.129999999999995 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.483 ' CD1' HD11 ' A' ' 65' ' ' LEU . 48.3 tp -58.96 -61.16 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 61.240000000000002 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -49.25 -23.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 62.539999999999999 110.303 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.8 t -51.13 -38.9 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 64.310000000000002 109.995 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.54 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.3 pt -108.03 -34.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 63.450000000000003 109.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.689 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 5.8 mt -77.14 178.82 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 53.200000000000003 109.322 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 140' ' ' ILE . 70.3 m-80 -141.57 91.21 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.510000000000005 109.324 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.636 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -91.74 -57.98 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.25 109.343 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.3 -79.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 55.210000000000001 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.0 t -112.86 -18.44 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 53.119999999999997 110.388 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.34 -171.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.200000000000003 110.96 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -149.29 167.23 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 72.140000000000001 110.003 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 99' ' ' THR . 14.4 p -152.49 165.41 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 62.439999999999998 109.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -143.17 130.43 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 73.439999999999998 110.368 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.795 HD11 ' CG1' ' A' ' 109' ' ' VAL . 10.6 tp -91.0 128.67 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 74.010000000000005 109.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.454 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 31.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 73.209999999999994 109.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.998 -0.371 . . . . 72.409999999999997 109.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.795 ' CG1' HD11 ' A' ' 100' ' ' LEU . 67.4 t -148.26 158.14 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 71.409999999999997 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 101' ' ' SER . 1.1 p90 -160.49 146.07 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 70.310000000000002 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.788 ' HE1' HD22 ' A' ' 100' ' ' LEU . 74.9 m-85 -102.31 122.54 44.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 75.439999999999998 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.416 ' HE1' ' HH ' ' A' ' 51' ' ' TYR . 16.0 m-85 -100.52 119.97 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 73.040000000000006 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.03 131.5 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.91 113.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.420000000000002 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.3 t30 -142.93 47.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 72.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 80.2 m -71.52 -53.72 12.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 108.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 0.4 OUTLIER -134.05 95.37 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 60.32 109.299 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.406 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . 53.1 m -69.29 -13.43 62.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 71.310000000000002 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.66 -17.76 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 61.329999999999998 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.54 43.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 62.009999999999998 109.297 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.927 ' OD1' HG23 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -95.28 -66.17 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 136' ' ' LEU . 2.8 t -74.03 -66.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.143 . . . . 62.420000000000002 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 34.15 35.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 71.129999999999995 111.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' VAL . 65.4 m -73.97 -80.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 64.109999999999999 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -162.86 130.74 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 53.130000000000003 109.269 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.488 HG13 ' HB2' ' A' ' 2' ' ' LEU . 33.0 t -57.3 -18.11 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.89 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 73.420000000000002 110.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.4 47.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 62.32 109.553 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -73.33 -35.46 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 110.965 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.763 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.5 mm? -68.82 -24.89 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 72.540000000000006 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 p -90.03 -32.69 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 63.140000000000001 110.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CD ' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -87.84 -17.13 32.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 63.200000000000003 110.295 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.64 ' CZ2' ' CD1' ' A' ' 61' ' ' ILE . 79.9 t90 -86.88 -44.29 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.299999999999997 107.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.84 HD13 ' CG1' ' A' ' 14' ' ' VAL . 7.1 tp -58.18 -49.03 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 73.540000000000006 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 2.4 t -72.87 -2.89 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 61.32 109.989 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 122' ' ' VAL . 0.8 OUTLIER -97.83 -39.93 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 63.439999999999998 109.292 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.651 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -91.89 -50.38 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 111.001 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.699 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 7.0 tp -42.57 -28.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 73.439999999999998 109.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 135' ' ' SER . 76.4 mtt-85 -62.05 -46.35 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.109999999999999 110.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.5 mt -50.74 -20.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 63.130000000000003 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.692 ' CE2' HD12 ' A' ' 48' ' ' LEU . 7.5 m-85 -104.03 -34.53 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.450000000000003 111.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 48.2 t0 -148.67 100.38 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.109999999999999 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 139' ' ' ARG . 12.5 mt -82.84 3.16 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 74.099999999999994 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.73 -22.23 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 75.299999999999997 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.455 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 50.2 t80 -80.89 109.54 15.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 110.998 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 103.44 52.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 61.039999999999999 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.74 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 75.230000000000004 110.968 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptp . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.46 0.171 . . . . 65.030000000000001 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.886 HD21 ' HB2' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -50.12 101.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.27 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 55.4 p -71.88 -165.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.2 tm? -76.71 -45.72 3.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.96 -9.29 20.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 61.25 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' OE1' HG21 ' A' ' 126' ' ' VAL . 24.9 mt-10 -88.54 -36.0 16.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 110.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.886 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.66 -33.32 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 110.988 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.548 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 12.0 t-20 -67.59 -21.11 65.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 75.25 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -75.19 -24.09 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.5 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 30.3 mt-30 -109.46 13.91 23.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 61.100000000000001 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.701 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -62.14 -45.18 90.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 64.450000000000003 109.3 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.99 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 63.420000000000002 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.9 m-20 -91.01 -34.21 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 130' ' ' LEU . 39.0 t -77.07 -51.84 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 54.310000000000002 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -62.97 -18.31 63.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 65.109999999999999 110.294 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 19' ' ' THR . 12.6 t -76.59 -45.38 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 70.239999999999995 109.986 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.878 HD13 ' HB3' ' A' ' 147' ' ' PRO . 1.7 pp -77.6 -25.89 50.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 73.019999999999996 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 HD11 ' A' ' 134' ' ' ILE . 1.8 mm? -57.96 -17.8 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 16' ' ' SER . 81.9 p -63.73 -14.34 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 110.392 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.53 -18.0 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 74.209999999999994 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.641 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.7 t90 -73.94 124.39 26.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 71.150000000000006 108.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.52 -15.7 28.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -79.43 -15.05 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 42.310000000000002 109.303 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 39.2 t -80.52 123.62 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 32.329999999999998 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.95 -22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 70.340000000000003 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 6.1 ttt85 -126.77 131.21 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.219999999999999 110.231 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -125.07 109.1 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.648 ' O ' HD23 ' A' ' 34' ' ' LEU . 17.6 tt0 -142.82 153.87 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 74.209999999999994 110.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -115.39 162.48 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.3 m -139.36 159.86 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.239999999999995 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -55.63 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.119999999999997 110.323 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER 78.22 53.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 165.74 -172.88 41.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 33.340000000000003 110.994 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -154.01 146.66 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 53.409999999999997 109.288 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 2.2 tm0? -127.54 115.35 18.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 60.439999999999998 110.321 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.803 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.6 150.53 40.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 75.299999999999997 109.302 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 7.2 m-20 -101.64 95.33 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 70.239999999999995 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 t -82.23 134.28 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 54.299999999999997 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.17 94.0 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.01 HD13 HD12 ' A' ' 90' ' ' ILE . 16.9 mt -71.35 -49.29 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 72.25 109.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.8 ttmt -135.57 158.01 45.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.239999999999995 109.289 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.4 ' HA ' ' NE ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -56.56 -19.98 18.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 71.230000000000004 110.436 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -128.56 24.22 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 71.219999999999999 109.246 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 66' ' ' TRP . 11.7 m -141.03 134.48 29.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 50.100000000000001 110.399 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.858 HD22 ' H ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -119.76 146.39 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 109.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.959 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.2 tm? -130.33 106.19 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.049999999999997 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.773 ' HG3' HD11 ' A' ' 45' ' ' LEU . 12.7 mt-10 -84.68 114.87 22.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 73.049999999999997 110.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.613 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -102.78 139.91 37.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 73.549999999999997 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 1.2 m170 -133.25 129.89 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 63.439999999999998 109.594 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.5 tt -107.18 133.48 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.674 ' CE1' ' CB ' ' A' ' 60' ' ' SER . 13.0 p90 -152.61 129.56 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 110.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.68 ' CD1' HD23 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.9 155.35 32.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.969 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.888 ' OD1' HG23 ' A' ' 55' ' ' VAL . 51.5 t0 -129.53 129.66 44.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 70.299999999999997 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.6 OUTLIER -81.95 3.76 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 109.572 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.888 HG23 ' OD1' ' A' ' 53' ' ' ASP . 75.3 t -68.1 -53.47 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 74.150000000000006 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.696 ' CD1' HG12 ' A' ' 55' ' ' VAL . 34.7 m-85 -117.81 8.29 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 111.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 58.13 50.6 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 71.409999999999997 109.565 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -147.32 167.47 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 62.229999999999997 109.316 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.2 Cg_endo -74.99 165.92 30.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 62.439999999999998 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.674 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 1.3 m -129.63 -179.71 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 61.310000000000002 110.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 137' ' ' TYR . 4.3 mt -150.66 134.23 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 109.303 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.571 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 10.2 ttpt -156.42 116.63 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 62.32 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.959 ' CD1' HD21 ' A' ' 46' ' ' LEU . 22.6 p90 -135.84 173.84 11.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.25 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.662 ' O ' HD22 ' A' ' 46' ' ' LEU . 6.7 mtp180 -140.3 150.33 43.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 72.409999999999997 110.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.983 HD11 HD13 ' A' ' 87' ' ' LEU . 78.4 mt -91.49 144.62 25.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 75.049999999999997 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 87.3 m95 -136.75 149.75 48.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 107.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.838 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -124.19 97.47 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 60.219999999999999 110.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -67.07 122.98 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.304 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.96 114.04 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 71.450000000000003 109.266 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.78 34.66 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 110.392 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.63 -36.39 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 75.099999999999994 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.664 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -108.27 -1.57 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 72.040000000000006 110.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.46 47.41 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.324 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.737 ' H ' HD13 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.98 -7.36 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 70.329999999999998 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.8 t 80.83 48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 72.430000000000007 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.696 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -83.7 176.23 9.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 61.240000000000002 109.992 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.508 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.7 163.38 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.56 137.08 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 110.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 65' ' ' LEU . 11.6 tp -55.13 131.23 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 67' ' ' SER . 31.1 mt -96.84 162.57 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 63.329999999999998 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -154.79 107.27 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.450000000000003 110.413 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -141.33 167.18 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.293 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -56.54 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 50.420000000000002 109.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -45.45 15.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 73.519999999999996 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -67.17 -24.27 65.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.329999999999998 110.045 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.5 mt-10 -79.75 -33.55 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 63.439999999999998 110.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.983 HD13 HD11 ' A' ' 65' ' ' LEU . 2.5 tp -84.2 -28.46 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 72.120000000000005 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.34 -19.24 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 61.299999999999997 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -54.64 -24.76 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.040000000000006 109.991 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.01 HD12 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -115.67 -37.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 70.409999999999997 109.316 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 66.2 mt -85.2 -179.82 7.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 61.009999999999998 109.314 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.6 m-80 -143.87 97.36 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -92.53 -58.03 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 53.439999999999998 109.312 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.57 -81.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.477 1.111 . . . . 64.140000000000001 111.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 6.9 t -113.27 -21.74 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 54.539999999999999 110.396 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 140' ' ' ILE . 12.4 m-85 -66.08 -170.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 63.219999999999999 110.997 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.3 m -153.1 170.31 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 70.329999999999998 110.014 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.536 HG22 ' N ' ' A' ' 99' ' ' THR . 2.6 p -153.67 166.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.536 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.1 m -135.58 124.32 23.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 110.408 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.897 HD13 ' CD1' ' A' ' 111' ' ' TYR . 13.7 tp -98.45 122.18 41.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.200000000000003 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 54.32 109.983 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.006 -0.368 . . . . 71.519999999999996 110.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.449 ' CG2' ' HG ' ' A' ' 100' ' ' LEU . 3.7 p -147.64 151.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.140000000000001 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.835 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -138.5 161.23 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 111.038 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.897 ' CD1' HD13 ' A' ' 100' ' ' LEU . 29.9 m-85 -107.49 80.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 75.209999999999994 110.953 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 71.4 m-85 -67.66 99.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 110.956 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.08 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 109.28 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.87 107.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 61.100000000000001 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' THR . 19.6 p-10 -107.08 -17.9 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 74.349999999999994 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.5 p -52.22 -28.07 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.150000000000006 108.287 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.28 36.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 109.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.46 HG22 ' OH ' ' A' ' 129' ' ' TYR . 1.1 m -83.0 -63.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -21.7 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 75.430000000000007 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.08 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.989 ' HB3' HD21 ' A' ' 136' ' ' LEU . 92.4 m-20 -92.54 -69.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.319999999999993 109.275 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.966 ' CG2' HD22 ' A' ' 136' ' ' LEU . 66.3 t -56.73 -65.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 74.5 109.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 131.94 -140.45 11.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 41.140000000000001 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 t -122.11 -2.22 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 61.43 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.0 89.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.539 HG23 HD12 ' A' ' 2' ' ' LEU . 2.4 p -75.43 -8.19 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 60.229999999999997 109.287 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.52 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 65.239999999999995 110.291 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -112.91 47.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 109.578 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.897 ' CD1' HG11 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -78.84 -34.82 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 73.219999999999999 110.984 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.908 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.4 mm? -78.97 -20.09 50.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.530000000000001 109.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 64.340000000000003 110.353 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.71 ' NE ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -89.62 -49.73 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 72.230000000000004 110.307 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.529 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 82.9 t90 -44.98 -49.27 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 74.400000000000006 107.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.852 HG21 HD21 ' A' ' 17' ' ' LEU . 6.1 tp -53.37 -53.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.340000000000003 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.543 ' HA ' HG22 ' A' ' 138' ' ' ILE . 1.7 t -67.92 -1.38 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 54.009999999999998 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.989 HD21 ' HB3' ' A' ' 121' ' ' ASN . 2.7 tp -93.44 -54.3 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 61.140000000000001 109.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.775 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -82.99 -44.66 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 74.030000000000001 110.981 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 134' ' ' ILE . 6.4 tp -47.97 -26.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.219999999999999 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -61.1 -39.66 90.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 110.329 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.592 HD11 ' CD2' ' A' ' 96' ' ' PHE . 74.4 mt -61.39 -11.93 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 54.43 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.613 ' CE2' HD12 ' A' ' 48' ' ' LEU . 76.0 m-85 -113.02 -30.28 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 63.030000000000001 110.996 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.62 104.5 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 72.319999999999993 109.337 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.97 2.98 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -111.86 -18.25 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 62.329999999999998 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.422 ' CB ' ' HB2' ' A' ' 142' ' ' ASP . 68.5 t80 -76.24 111.89 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.51 115.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.049999999999997 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.878 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 72.319999999999993 110.969 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.478 0.18 . . . . 55.350000000000001 110.996 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 7' ' ' TYR . 14.7 tp -74.71 109.72 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 52.439999999999998 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 61.4 p -76.68 -171.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 110.398 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.03 -45.6 3.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 71.129999999999995 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -8.15 19.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 61.420000000000002 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 2' ' ' LEU . 29.3 mt-10 -88.17 -39.15 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.450000000000003 110.336 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.707 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -85.96 -36.93 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.540000000000006 110.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 t-20 -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 73.299999999999997 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.35 -32.21 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 72.140000000000001 110.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.5 mp0 -103.57 7.22 37.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 61.350000000000001 110.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.627 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -55.29 -45.46 99.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.271 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.0 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 75.129999999999995 110.99 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.58 -34.7 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 72.230000000000004 109.286 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.952 ' O ' HD23 ' A' ' 18' ' ' LEU . 23.3 t -75.43 -48.43 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 71.120000000000005 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -62.65 -23.88 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.140000000000001 110.267 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 19' ' ' THR . 7.3 t -67.16 -60.76 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 61.520000000000003 110.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.977 HD13 ' CB ' ' A' ' 147' ' ' PRO . 2.9 pp -62.82 -23.67 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 72.319999999999993 109.276 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.952 HD23 ' O ' ' A' ' 14' ' ' VAL . 1.3 mm? -52.3 -23.3 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 53.350000000000001 109.293 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 16' ' ' SER . 75.8 p -62.26 -34.76 77.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 60.409999999999997 110.446 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 11.0 mmmt -57.89 -17.57 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 71.409999999999997 109.339 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 1.041 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.7 t90 -74.32 106.82 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.01 -1.107 . . . . 74.430000000000007 108.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.04 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 43.310000000000002 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.718 ' HB2' HG13 ' A' ' 38' ' ' VAL . 16.1 mtpt -72.39 -25.47 61.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 74.430000000000007 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' A' ' 21' ' ' TRP . 11.7 t -71.57 118.74 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 64.510000000000005 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -108.29 -23.44 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -135.76 131.51 35.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 70.540000000000006 110.336 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -117.18 118.94 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 70.319999999999993 109.348 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.827 ' O ' HD23 ' A' ' 34' ' ' LEU . 18.0 tt0 -134.5 158.02 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.310000000000002 110.259 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -121.32 155.43 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 71.540000000000006 109.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' C ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -133.1 167.63 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 64.25 109.306 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.2 tt0 -61.23 92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 74.530000000000001 110.333 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.755 ' OD1' HD11 ' A' ' 4' ' ' LEU . 6.0 t70 76.09 50.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 65.230000000000004 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.501 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 174.12 -165.09 36.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 70.25 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -158.48 153.31 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 73.540000000000006 109.271 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.735 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.4 tm0? -137.99 105.48 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.314 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.838 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.62 167.52 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 43.329999999999998 109.289 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.35 94.94 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.32 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.041 HG21 ' CH2' ' A' ' 21' ' ' TRP . 26.6 t -91.34 111.53 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 65.099999999999994 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.604 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -85.8 85.95 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 35.229999999999997 110.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.772 HD12 HG12 ' A' ' 38' ' ' VAL . 7.5 mp -63.65 -39.08 93.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 71.150000000000006 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -142.71 154.75 44.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.349999999999994 109.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -61.6 -14.46 30.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 71.409999999999997 110.393 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -123.82 11.32 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 64.040000000000006 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.1 m -134.01 146.49 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 64.319999999999993 110.36 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 45' ' ' LEU . 2.7 tm? -133.0 136.63 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 64.340000000000003 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' A' ' 40' ' ' LEU . 1.3 tm? -114.99 99.07 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.282 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 2.1 tt0 -82.45 109.42 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.400000000000006 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.704 HD13 ' N ' ' A' ' 49' ' ' HIS . 2.4 tm? -98.05 131.68 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 51.240000000000002 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.704 ' N ' HD13 ' A' ' 48' ' ' LEU . 2.1 m170 -128.29 120.52 27.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 75.019999999999996 109.583 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 2.7 tt -104.43 125.38 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 73.239999999999995 109.336 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 43.5 p90 -144.17 138.7 28.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 1.2 t80 -85.48 155.21 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 65.25 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t0 -127.87 130.09 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 75.340000000000003 109.277 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 54' ' ' HIS . 1.0 OUTLIER -84.23 3.5 35.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 63.43 109.599 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.522 HG23 ' OD1' ' A' ' 53' ' ' ASP . 67.0 t -72.16 -50.67 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 51.43 109.359 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.402 ' C ' HG22 ' A' ' 58' ' ' VAL . 81.6 m-85 -115.91 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.120000000000005 110.985 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.438 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.0 m-70 57.86 56.63 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.150000000000006 109.647 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -156.09 164.91 19.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 74.120000000000005 109.304 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.94 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 72.129999999999995 110.998 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 10.9 m -122.3 177.42 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 73.549999999999997 110.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.616 HG21 HD12 ' A' ' 113' ' ' ILE . 2.9 mt -139.21 136.33 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 75.150000000000006 109.306 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 11.9 ttpt -155.61 116.46 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 72.209999999999994 109.327 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 91' ' ' LEU . 23.3 p90 -135.38 170.48 15.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 65.510000000000005 111.014 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.762 ' HB3' HD11 ' A' ' 79' ' ' LEU . 5.5 mtm180 -150.64 113.0 4.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 79' ' ' LEU . 8.8 mp -66.48 145.34 55.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 62.219999999999999 109.316 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 83.2 m95 -133.15 151.68 51.97 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 72.299999999999997 108.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.724 ' HB2' HD11 ' A' ' 80' ' ' LEU . 1.3 t -119.09 97.83 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.604 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.61 123.84 21.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -118.21 113.47 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 70.430000000000007 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.66 33.85 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 110.433 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.48 -36.37 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 54.310000000000002 110.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.666 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.7 mt-10 -108.33 -1.65 19.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.76 47.54 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 73.209999999999994 109.318 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.727 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.96 -8.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 75.299999999999997 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.52 45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 41.210000000000001 110.02 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.714 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -77.99 178.97 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 44.200000000000003 110.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.2 pp -174.13 160.36 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 61.450000000000003 109.262 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -155.0 130.04 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 74.340000000000003 110.324 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.4 tp -49.14 136.21 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.349999999999994 109.269 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 67' ' ' SER . 42.6 mt -99.64 115.43 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 74.439999999999998 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.5 m -118.34 93.14 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.030000000000001 110.407 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.842 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -124.17 167.03 14.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 60.439999999999998 109.305 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 171.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 61.25 109.979 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -63.8 -38.91 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 65.420000000000002 109.3 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -50.2 -42.42 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 72.549999999999997 110.008 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.4 mt-10 -79.62 -45.15 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.230000000000004 110.26 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.917 HD11 HD12 ' A' ' 91' ' ' LEU . 2.9 tm? -58.66 -22.67 57.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 75.239999999999995 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.497 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -86.02 -21.87 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 110.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -58.57 -16.18 14.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 52.229999999999997 110.004 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -124.74 -44.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 33.530000000000001 109.272 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.917 HD12 HD11 ' A' ' 87' ' ' LEU . 4.8 mt -78.17 173.21 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 74.040000000000006 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 140' ' ' ILE . 71.3 m-80 -133.6 100.52 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.319999999999993 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.75 -57.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 109.28 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.01 -85.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 73.519999999999996 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -122.81 4.45 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.400000000000006 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.22 -171.78 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 64.030000000000001 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -145.36 162.76 36.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 63.210000000000001 109.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.576 HG22 ' H ' ' A' ' 99' ' ' THR . 7.5 p -148.91 172.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 65.109999999999999 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.576 ' H ' HG22 ' A' ' 98' ' ' VAL . 1.3 m -150.33 111.29 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 73.230000000000004 110.359 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 109' ' ' VAL . 7.9 tt -89.43 121.52 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 75.439999999999998 109.255 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 71.5 109.982 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.012 -0.366 . . . . 72.430000000000007 110.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 100' ' ' LEU . 3.2 t -144.16 153.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.120000000000005 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -140.97 167.65 21.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.319999999999993 110.973 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CE1' HD12 ' A' ' 100' ' ' LEU . 30.0 m-85 -122.88 78.58 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 110.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 48.5 m-85 -65.84 105.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 72.450000000000003 111.011 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.616 HD12 HG21 ' A' ' 61' ' ' ILE . 5.6 mt -70.66 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -66.72 111.03 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 8.5 p-10 -140.63 45.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 71.129999999999995 109.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.0 p -89.4 -46.27 8.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 108.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 11.2 p-10 -108.69 76.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.400000000000006 109.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.914 HG22 ' OH ' ' A' ' 129' ' ' TYR . 1.1 m -83.18 -57.37 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.340000000000003 110.359 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -50.43 -26.54 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 62.130000000000003 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.89 -28.27 21.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 65.230000000000004 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' THR . 59.5 m-20 -86.7 -70.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 73.010000000000005 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.914 HG22 ' CD1' ' A' ' 136' ' ' LEU . 37.5 t -60.28 -66.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 72.430000000000007 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.0 -33.13 4.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 70.129999999999995 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 33.1 t -36.8 141.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 64.109999999999999 109.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -59.79 176.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 71.310000000000002 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 2' ' ' LEU . 33.3 t -82.96 -8.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -54.79 -67.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 70.439999999999998 110.311 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.44 ' CB ' ' OG1' ' A' ' 131' ' ' THR . 0.0 OUTLIER -123.72 47.43 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 63.020000000000003 109.603 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.914 ' OH ' HG22 ' A' ' 118' ' ' THR . 3.4 t80 -67.77 -36.25 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 64.430000000000007 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 7' ' ' TYR . 2.4 mm? -68.02 -26.04 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 73.150000000000006 109.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.44 ' OG1' ' CB ' ' A' ' 128' ' ' HIS . 16.9 p -90.56 -30.51 17.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 75.510000000000005 110.413 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -16.28 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 65.310000000000002 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 79.6 t90 -88.26 -42.02 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 72.540000000000006 108.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.803 HD12 ' CE2' ' A' ' 137' ' ' TYR . 7.0 tp -58.23 -50.0 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.299999999999997 109.294 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.6 ' HA ' HG22 ' A' ' 138' ' ' ILE . 45.1 t -74.06 -0.01 15.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 75.400000000000006 110.007 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.914 ' CD1' HG22 ' A' ' 122' ' ' VAL . 2.9 tt -98.22 -43.79 6.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 61.43 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.803 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -89.66 -40.09 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.510000000000005 111.006 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.682 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 6.3 tp -56.95 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.6 mtp180 -64.58 -11.06 30.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 74.129999999999995 110.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 92' ' ' ASN . 24.0 mt -88.57 -10.89 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.424 ' CE2' ' HE1' ' A' ' 137' ' ' TYR . 96.9 m-85 -115.85 -28.08 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 111.017 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.568 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -147.99 117.93 7.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 42.520000000000003 109.266 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.649 HD12 ' CG ' ' A' ' 92' ' ' ASN . 8.4 mt -98.53 3.07 48.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 42.43 109.324 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.416 ' N ' HD22 ' A' ' 144' ' ' ASN . 2.2 m-80 -106.06 -18.16 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.329999999999998 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.9 t80 -101.22 102.31 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 72.439999999999998 110.99 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.94 93.62 30.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 72.420000000000002 109.312 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.977 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 72.450000000000003 110.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.542 0.21 . . . . 62.25 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.764 HD21 ' HB2' ' A' ' 7' ' ' TYR . 16.3 tp -50.81 110.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 73.340000000000003 109.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.501 HG23 ' OE1' ' A' ' 6' ' ' GLU . 60.7 p -77.51 -171.42 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 110.443 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -75.75 -45.66 4.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 109.326 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 71.420000000000002 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.732 ' HB3' HD12 ' A' ' 2' ' ' LEU . 26.3 mt-10 -88.51 -39.72 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 75.219999999999999 110.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.881 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.23 -36.68 19.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 111.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.587 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 15.6 t-20 -63.92 -18.34 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.439999999999998 109.313 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -72.91 -24.6 60.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.109999999999999 110.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 21.3 mt-30 -111.49 12.04 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 75.329999999999998 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.881 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -58.81 -46.16 99.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.019999999999996 109.338 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.91 0.11 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 71.030000000000001 111.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -94.02 -33.6 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 71.25 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 130' ' ' LEU . 97.7 t -77.89 -39.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.150000000000006 109.268 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 43.3 ptt85 -66.39 -31.28 71.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.267 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.791 ' O ' HG23 ' A' ' 19' ' ' THR . 22.7 t -62.59 -60.85 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 64.219999999999999 110.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.955 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -59.16 -23.57 62.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 70.439999999999998 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -58.58 -21.14 52.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 53.329999999999998 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 16' ' ' SER . 60.9 p -68.4 -7.59 32.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 61.109999999999999 110.391 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 44.4 mttp -86.79 -29.77 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.776 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.6 t90 -59.17 108.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 75.25 108.039 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.68 ' HB2' HG13 ' A' ' 38' ' ' VAL . 3.6 mtmm -76.94 -26.25 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.109999999999999 109.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 15.6 t -70.91 124.63 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 73.230000000000004 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -113.17 -19.96 11.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 60.509999999999998 110.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.400000000000006 110.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -128.04 104.77 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 61.539999999999999 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' HD23 ' A' ' 34' ' ' LEU . 23.0 tt0 -132.35 156.02 47.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 71.209999999999994 110.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.2 p-10 -120.66 163.69 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.329999999999998 109.287 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG22 ' CA ' ' A' ' 34' ' ' LEU . 2.6 m -134.77 168.68 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.7 OUTLIER -65.49 93.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 71.310000000000002 110.317 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 78.74 52.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.276 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.78 -159.19 31.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 62.039999999999999 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -156.38 160.47 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 72.319999999999993 109.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.766 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.3 tm0? -146.56 106.86 4.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -105.45 163.52 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 71.209999999999994 109.277 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.47 95.17 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 72.299999999999997 109.289 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.776 HG21 ' CH2' ' A' ' 21' ' ' TRP . 18.6 t -84.01 146.31 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 72.349999999999994 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -111.33 85.09 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 71.109999999999999 110.319 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB3' HG21 ' A' ' 90' ' ' ILE . 28.4 mt -63.93 -51.48 64.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.329999999999998 109.321 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.4 ttmt -135.23 156.57 48.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.019999999999996 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -59.93 -15.96 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 74.040000000000006 110.397 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' LEU . 32.4 m-20 -123.99 17.48 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 42.119999999999997 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 66' ' ' TRP . 91.6 m -139.0 151.21 46.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.4 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.76 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -135.23 136.76 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 109.288 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.771 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.39 99.56 7.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.519 ' N ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -87.27 108.8 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.266 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.666 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 0.6 OUTLIER -95.66 139.14 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 70.209999999999994 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -134.5 112.12 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 109.633 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.3 tt -89.41 136.63 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 71.319999999999993 109.261 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.0 p90 -151.5 129.44 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.63 ' CD1' HD23 ' A' ' 4' ' ' LEU . 11.6 t80 -79.01 133.08 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 111.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CG ' HG12 ' A' ' 55' ' ' VAL . 13.0 t0 -102.31 119.71 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 70.530000000000001 109.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.452 ' CE1' HD23 ' A' ' 4' ' ' LEU . 1.2 m-70 -81.12 3.6 22.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 109.6 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.698 ' CG1' ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -82.65 -36.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.698 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 28.0 m-85 -116.17 -7.55 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 110.979 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.521 ' O ' HG13 ' A' ' 58' ' ' VAL . 62.5 m-70 65.04 49.1 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.519999999999996 109.61 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -157.38 163.68 24.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.535 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 150.35 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 64.519999999999996 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 33.5 t -123.96 176.58 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 74.329999999999998 109.999 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.626 HD11 ' CG ' ' A' ' 137' ' ' TYR . 9.2 mt -137.18 141.18 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.509999999999998 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 13.4 ttpt -155.66 117.11 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 72.25 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 91' ' ' LEU . 38.7 p90 -136.13 164.6 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 64.319999999999993 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.767 ' HB3' HD11 ' A' ' 79' ' ' LEU . 10.0 mtm180 -137.28 134.18 35.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 72.319999999999993 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.045 HD11 HD13 ' A' ' 87' ' ' LEU . 83.2 mt -72.41 148.27 45.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 60.149999999999999 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.858 ' O ' HG23 ' A' ' 44' ' ' THR . 94.6 m95 -139.95 160.06 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 108.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.75 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.81 97.9 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 74.439999999999998 109.971 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.33 124.61 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 65.140000000000001 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.61 113.28 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.28 30.16 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 73.299999999999997 110.409 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -42.22 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 65.319999999999993 110.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.2 mt-10 -104.09 -15.5 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 54.439999999999998 110.335 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 5.8 t0 81.15 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 60.020000000000003 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.807 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -9.89 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 63.130000000000003 109.291 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.5 t 84.04 41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 71.329999999999998 109.994 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.807 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -75.34 176.33 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 62.310000000000002 110.007 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.484 HD12 ' C ' ' A' ' 77' ' ' LEU . 3.6 pp -168.38 162.98 12.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.343 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 67' ' ' SER . 7.0 tpt180 -155.41 131.41 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 73.299999999999997 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.4 tp -50.23 132.36 24.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 67' ' ' SER . 29.3 mt -99.51 162.63 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.338 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.4 p -156.67 111.47 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 110.416 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -142.0 167.0 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 72.519999999999996 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -55.62 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 75.129999999999995 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.94 -41.25 21.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 71.519999999999996 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -64.67 -36.57 84.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 75.519999999999996 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.582 ' HB3' HD12 ' A' ' 82' ' ' LEU . 3.7 mm-40 -75.13 -29.75 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.230000000000004 110.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.045 HD13 HD11 ' A' ' 65' ' ' LEU . 2.2 tp -82.73 -27.36 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.209999999999994 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -7.2 33.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 65.230000000000004 110.286 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.572 ' HB3' HD13 ' A' ' 90' ' ' ILE . 1.9 t -67.05 -25.26 66.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 110.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.677 HD13 ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.16 -37.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 73.510000000000005 109.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.875 ' CD1' HD11 ' A' ' 87' ' ' LEU . 92.6 mt -85.37 -179.66 7.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 62.200000000000003 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.533 ' CG ' HD12 ' A' ' 143' ' ' LEU . 69.7 m-80 -143.95 97.24 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 74.540000000000006 109.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.63 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.29 -58.2 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 109.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.62 -81.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 44.020000000000003 111.013 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.8 t -113.52 -21.41 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 73.230000000000004 110.43 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 140' ' ' ILE . 16.0 m-85 -65.03 -171.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 64.209999999999994 110.954 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.8 m -148.26 171.99 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 74.319999999999993 110.003 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 99' ' ' THR . 14.4 p -153.67 170.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.4 m -138.03 114.78 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.540000000000006 110.408 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.96 HD22 ' CE1' ' A' ' 111' ' ' TYR . 1.6 tp -93.99 120.85 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.219999999999999 109.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.469 ' N ' HD12 ' A' ' 100' ' ' LEU . 5.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 53.530000000000001 110.004 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.016 -0.364 . . . . 65.120000000000005 110.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.714 ' HB ' HD21 ' A' ' 79' ' ' LEU . 60.7 t -149.42 152.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.119999999999997 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -148.65 160.2 43.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 110.963 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.96 ' CE1' HD22 ' A' ' 100' ' ' LEU . 32.8 m-85 -119.66 80.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.140000000000001 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 89.7 m-85 -68.41 109.02 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.947 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 6.4 mt -75.73 142.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 42.329999999999998 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.22 112.92 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 63.100000000000001 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 20.9 t30 -119.57 8.58 11.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 72.329999999999998 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.0 p -70.15 -29.73 66.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 71.319999999999993 108.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.67 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 65.519999999999996 109.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m -83.21 -62.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 110.423 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.82 -21.5 63.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.040000000000006 109.275 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.98 31.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -93.73 -69.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 75.540000000000006 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.891 HG22 HD13 ' A' ' 136' ' ' LEU . 3.3 t -76.02 -65.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 74.349999999999994 109.326 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.14 -116.79 5.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 75.319999999999993 111.041 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.609 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.9 p -86.22 -99.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 74.420000000000002 109.998 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 124' ' ' SER . 2.3 m-20 34.79 53.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.76 -8.49 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.049999999999997 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -67.63 -66.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.340000000000003 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 47.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 74.5 109.597 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 124' ' ' SER . 5.2 t80 -74.03 -41.14 62.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.716 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.0 mm? -67.68 -27.73 67.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 64.420000000000002 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.6 p -88.07 -34.89 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 72.219999999999999 110.383 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.8 tpt85 -84.72 -17.12 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 64.519999999999996 110.318 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.515 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 81.8 t90 -84.36 -45.39 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.972 -1.122 . . . . 74.120000000000005 107.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.843 HD12 ' CE2' ' A' ' 137' ' ' TYR . 8.0 tp -56.68 -53.78 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 72.349999999999994 109.352 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.591 ' HA ' HG22 ' A' ' 138' ' ' ILE . 37.6 t -71.31 1.47 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.979 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.891 HD13 HG22 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.74 -45.88 6.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 109.312 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.843 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -94.26 -42.95 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 110.995 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 134' ' ' ILE . 5.9 tp -48.36 -24.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.319999999999993 109.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 135' ' ' SER . 46.4 mtp85 -59.73 -39.26 84.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 110.297 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 92' ' ' ASN . 72.4 mt -61.51 -11.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 63.350000000000001 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.666 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 82.0 m-85 -112.59 -31.76 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 71.239999999999995 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 145' ' ' PHE . 17.7 t0 -148.51 106.97 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 43.130000000000003 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 92' ' ' ASN . 7.0 mt -90.06 3.18 54.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 75.340000000000003 109.257 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.62 -18.74 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 61.219999999999999 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 3.3 t80 -102.92 109.39 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.230000000000004 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.87 92.0 37.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 71.349999999999994 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . 0.955 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 74.239999999999995 111.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.824 ' OG ' HG13 ' A' ' 58' ' ' VAL . 6.6 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.013 -0.366 . . . . 74.120000000000005 110.013 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.13 0.24 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 75.200000000000003 110.979 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.748 HD13 HG13 ' A' ' 126' ' ' VAL . 13.8 tp -50.59 106.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 70.439999999999998 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 70.0 p -74.96 -171.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 51.109999999999999 110.386 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.54 -45.32 3.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 71.140000000000001 109.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -12.74 21.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 74.219999999999999 111.041 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.1 mm-40 -88.57 -33.09 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.329999999999998 110.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.657 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.68 -24.95 22.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 75.349999999999994 110.982 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.42 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 8.8 t-20 -76.47 -16.65 59.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 52.409999999999997 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 70.230000000000004 110.25 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 15.7 mt-30 -114.04 15.44 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.325 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -60.97 -48.38 92.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 55.530000000000001 109.273 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.03 0.1 9.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 71.299999999999997 111.007 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.3 m-20 -92.4 -34.15 14.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 130' ' ' LEU . 24.7 t -69.6 -49.4 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 75.200000000000003 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 19' ' ' THR . 6.2 ptm180 -65.88 -34.41 78.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -54.49 -43.81 72.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 110.001 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.9 pp -85.19 -32.28 22.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 71.430000000000007 109.312 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.841 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.5 tp -55.9 -26.77 48.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 65.129999999999995 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.908 HG23 ' O ' ' A' ' 15' ' ' ARG . 72.3 p -55.36 -27.91 50.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 110.403 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 30.5 mttm -58.41 -30.4 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.855 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -50.91 130.02 24.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 60.520000000000003 107.995 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.83 -15.51 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' HB2' HG13 ' A' ' 38' ' ' VAL . 3.4 mtmm -85.33 -26.54 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 52.020000000000003 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 21' ' ' TRP . 10.7 t -63.81 117.16 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 62.439999999999998 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 29.4 tt0 -107.68 -26.84 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 64.329999999999998 110.328 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -124.88 144.89 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.120000000000005 110.342 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.546 HD13 HD23 ' A' ' 36' ' ' LEU . 2.1 mm -130.85 103.85 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 61.520000000000003 109.245 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.5 tt0 -131.28 135.6 47.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 62.130000000000003 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 34' ' ' LEU . 7.4 t70 -101.19 161.06 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 64.140000000000001 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.8 m -135.02 168.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -91.04 32.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 72.310000000000002 110.275 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -168.35 32.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 64.349999999999994 109.289 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' HD11 ' A' ' 11' ' ' ILE . . . 136.75 -119.02 1.86 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 63.539999999999999 110.952 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -165.71 153.94 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 0.811 . . . . 73.310000000000002 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 1.8 tm0? -134.59 106.18 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 70.519999999999996 110.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.707 ' CD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.99 165.02 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 73.25 109.315 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.827 ' OD1' HD21 ' A' ' 45' ' ' LEU . 2.8 t0 -119.48 96.01 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.120000000000005 109.276 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.855 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 15.7 t -86.49 126.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 73.430000000000007 109.253 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 8.4 tpp180 -94.99 89.2 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 61.200000000000003 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' ' 46' ' ' LEU . 9.3 mp -68.46 -32.58 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.5 ttmm -149.28 156.47 42.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.219999999999999 109.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.37 -19.36 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 64.040000000000006 110.411 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.65 15.19 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.530000000000001 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.452 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 5.7 m -135.92 123.62 22.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.319999999999993 110.439 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.827 HD21 ' OD1' ' A' ' 37' ' ' ASP . 1.3 tm? -121.12 134.92 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 61.109999999999999 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.826 HD21 ' CD1' ' A' ' 63' ' ' PHE . 3.4 tm? -117.7 105.25 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 62.140000000000001 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.8 tp10 -78.79 102.31 8.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 74.140000000000001 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.7 tm? -81.16 121.04 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.539 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.8 m170 -121.14 116.33 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 74.040000000000006 109.595 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.8 tt -100.7 137.34 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 54.43 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 6.3 p90 -151.25 142.32 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 75.329999999999998 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 33.9 t80 -83.41 150.93 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 71.099999999999994 110.961 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.55 ' OD2' HG23 ' A' ' 55' ' ' VAL . 36.9 t0 -130.21 114.68 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 51.100000000000001 109.33 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.439 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 3.5 m-70 -73.63 -4.45 34.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.586 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG23 ' OD2' ' A' ' 53' ' ' ASP . 75.9 t -60.88 -45.14 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 74.400000000000006 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.498 ' CD1' HG12 ' A' ' 55' ' ' VAL . 43.6 m-85 -119.14 0.96 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 75.310000000000002 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 64.89 44.04 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 51.409999999999997 109.581 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.824 HG13 ' OG ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.66 165.19 18.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 75.329999999999998 109.291 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 18.2 Cg_endo -75.03 159.61 41.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 72.409999999999997 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.636 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 18.5 m -124.96 176.23 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 54.420000000000002 109.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.69 HG21 HD12 ' A' ' 113' ' ' ILE . 7.0 mt -138.56 129.2 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 65.010000000000005 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 8.3 ttpt -147.34 117.06 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 65.310000000000002 109.253 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.826 ' CD1' HD21 ' A' ' 46' ' ' LEU . 7.5 p90 -130.78 165.4 23.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.579 ' HB3' HD11 ' A' ' 79' ' ' LEU . 8.6 mtp180 -139.0 137.01 35.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.944 ' O ' HD12 ' A' ' 79' ' ' LEU . 35.9 mt -82.25 142.31 32.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 77' ' ' LEU . 96.0 m95 -130.32 160.41 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 64.450000000000003 107.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.82 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -130.68 97.46 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 75.450000000000003 110.017 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.77 125.44 26.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 72.109999999999999 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -123.01 112.58 17.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.14 34.32 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 73.209999999999994 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.74 -44.49 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 110.312 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -103.24 -12.86 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER 81.69 53.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.310000000000002 109.301 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.821 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -6.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 55.229999999999997 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.9 t 74.78 44.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.420000000000002 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.821 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -84.81 176.47 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.200000000000003 110.021 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -165.94 166.14 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 73.010000000000005 109.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -155.48 134.54 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 75.150000000000006 110.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.944 HD12 ' O ' ' A' ' 65' ' ' LEU . 33.2 tp -55.14 141.88 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 70.049999999999997 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 67' ' ' SER . 95.0 mt -111.01 162.39 14.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.2 p -154.95 120.31 5.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 110.461 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -144.56 167.08 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 73.109999999999999 109.257 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -69.05 -175.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 61.240000000000002 109.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -67.62 -54.97 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 65.430000000000007 109.324 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -50.11 -37.69 35.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.981 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.439 ' HB3' HD12 ' A' ' 82' ' ' LEU . 7.9 mt-10 -81.11 -32.24 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 74.409999999999997 110.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.059 HD21 HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -75.76 -17.69 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.329999999999998 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -86.05 -17.65 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 62.299999999999997 110.285 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -57.59 -17.2 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.5 110.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.522 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.72 -48.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 64.140000000000001 109.281 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.059 HD12 HD21 ' A' ' 87' ' ' LEU . 19.9 mt -79.44 166.73 21.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 62.509999999999998 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.846 ' CG ' HD12 ' A' ' 143' ' ' LEU . 65.5 m-80 -124.56 103.33 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.420000000000002 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -92.88 -58.13 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 70.140000000000001 109.272 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.87 -88.14 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 45.219999999999999 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.2 t -120.21 -5.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 73.329999999999998 110.417 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.27 -170.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 111.015 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.2 m -146.73 147.27 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 64.140000000000001 110.012 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 p -140.64 158.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 m -133.81 108.12 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 74.230000000000004 110.385 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.971 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.2 tt -99.44 123.39 43.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 71.349999999999994 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.502 ' N ' HD23 ' A' ' 100' ' ' LEU . 11.9 t -132.47 141.93 49.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 33.509999999999998 110.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.634 HG22 ' HB ' ' A' ' 109' ' ' VAL . 2.3 p -96.75 165.17 12.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 71.420000000000002 110.386 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -86.96 168.2 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 71.340000000000003 109.26 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.7 ttt -56.42 -34.97 67.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 53.530000000000001 110.946 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -78.52 -11.46 59.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 63.420000000000002 110.301 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.7 mtp 58.1 25.76 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 75.420000000000002 110.985 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -17.49 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 73.519999999999996 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.98 147.12 50.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 73.420000000000002 110.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.773 HG21 HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -149.54 163.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 72.120000000000005 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -141.51 157.84 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 74.099999999999994 111.017 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.971 ' CE1' HD12 ' A' ' 100' ' ' LEU . 22.6 m-85 -111.04 79.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 75.450000000000003 111.035 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 76.5 m-85 -70.78 104.15 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 61.009999999999998 110.978 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 61' ' ' ILE . 6.0 mt -70.46 139.13 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.02 111.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 54.219999999999999 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 8.9 p-10 -139.09 47.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 61.100000000000001 109.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 20.3 p -88.63 -46.03 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 108.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' CG ' ' HB2' ' A' ' 120' ' ' ALA . 19.6 t0 -112.22 76.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 54.030000000000001 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.643 HG22 HG11 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -83.08 -50.24 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.549999999999997 110.402 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' N ' ' CG2' ' A' ' 118' ' ' THR . 2.7 p30 -49.4 -26.11 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 74.109999999999999 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.43 ' HB2' ' CG ' ' A' ' 117' ' ' ASP . . . -67.55 -39.96 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 74.310000000000002 109.302 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HB3' HD11 ' A' ' 136' ' ' LEU . 72.9 m-20 -94.57 -64.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.310000000000002 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.852 HG11 ' CE1' ' A' ' 129' ' ' TYR . 14.2 t -52.4 -65.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 71.319999999999993 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' ASP . . . 132.49 -153.34 20.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 126' ' ' VAL . 9.5 m -113.58 -15.37 12.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 60.009999999999998 110.014 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.57 92.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.338 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.748 HG13 HD13 ' A' ' 2' ' ' LEU . 17.1 t -73.74 -8.63 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 72.319999999999993 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 16.5 mt-10 -68.5 -67.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 72.239999999999995 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.65 46.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.6 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.852 ' CE1' HG11 ' A' ' 122' ' ' VAL . 1.2 t80 -79.73 -49.02 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 64.450000000000003 110.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.834 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.5 mm? -59.25 -26.36 64.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.29 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -88.42 -51.93 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 64.319999999999993 110.431 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 4.4 tpt180 -65.71 -17.22 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 72.239999999999995 110.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.619 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 67.7 t90 -83.95 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 75.109999999999999 107.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.834 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.2 tp -53.92 -56.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.329 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.48 ' N ' HG23 ' A' ' 134' ' ' ILE . 32.7 t -55.18 -17.6 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 110.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.5 ' C ' HD23 ' A' ' 136' ' ' LEU . 1.9 tt -92.92 -32.63 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 71.099999999999994 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 11.9 m-85 -94.75 -2.28 51.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 134' ' ' ILE . 3.9 tp -86.36 -19.8 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.239999999999995 109.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -67.88 -7.99 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 110.34 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 92' ' ' ASN . 21.8 mt -93.79 -10.61 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 64.400000000000006 109.291 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.647 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.6 m-85 -111.51 -39.9 4.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 73.319999999999993 110.969 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.93 116.17 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 74.430000000000007 109.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.846 HD12 ' CG ' ' A' ' 92' ' ' ASN . 1.1 mt -90.98 3.1 55.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 109.326 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -102.61 -11.89 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 51.229999999999997 109.299 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.5 t80 -111.32 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 74.140000000000001 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.93 95.24 37.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.549999999999997 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.769 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 71.549999999999997 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.982 -0.377 . . . . 71.540000000000006 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 47.16 22.93 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 73.530000000000001 111.028 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.797 HD13 HG13 ' A' ' 126' ' ' VAL . 22.2 tp -74.83 111.41 10.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 74.540000000000006 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.487 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.2 p -76.54 -171.62 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 61.200000000000003 110.409 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -76.29 -45.65 3.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 60.219999999999999 109.289 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -9.96 21.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 51.229999999999997 111.018 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.671 ' HB3' HD12 ' A' ' 2' ' ' LEU . 3.7 mm-40 -88.33 -35.62 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 72.329999999999998 110.304 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.731 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.67 -32.29 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 111.017 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 t-20 -69.03 -16.3 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 63.25 109.298 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -73.37 -23.93 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 55.109999999999999 110.253 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -111.13 12.74 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 71.310000000000002 110.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -56.91 -47.49 98.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 72.510000000000005 109.322 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -74.99 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.481 1.779 . . . . 73.230000000000004 111.028 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.86 -35.22 13.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.349999999999994 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 130' ' ' LEU . 31.0 t -67.43 -47.46 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 71.230000000000004 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.899 ' O ' HG23 ' A' ' 19' ' ' THR . 21.8 ptt85 -66.93 -35.0 79.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 110.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -53.33 -43.7 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 53.520000000000003 110.017 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.856 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -84.99 -32.0 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.797 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.5 tp -56.54 -23.37 39.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 52.43 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 15' ' ' ARG . 72.5 p -60.52 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 71.540000000000006 110.411 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 1.3 mmmp? -58.68 -30.72 67.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 62.409999999999997 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 1.047 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.1 t90 -48.86 118.75 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.005 -1.109 . . . . 73.439999999999998 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.09 -14.07 45.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 65.340000000000003 109.314 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.758 ' HB2' HG13 ' A' ' 38' ' ' VAL . 1.7 mtmm -85.99 -26.31 25.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 41.109999999999999 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' CD2' ' A' ' 21' ' ' TRP . 4.1 t -61.55 141.86 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -118.79 -37.21 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 63.420000000000002 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -132.97 133.91 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 72.150000000000006 110.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -113.38 117.62 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.150000000000006 109.276 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.714 ' O ' HD23 ' A' ' 34' ' ' LEU . 14.7 tt0 -138.75 145.12 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 110.275 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.45 160.86 15.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 72.030000000000001 109.289 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' C ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -137.04 174.99 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.409999999999997 109.272 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -62.55 92.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.82 48.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 72.510000000000005 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 177.93 -170.4 42.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 62.329999999999998 111.0 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -157.65 140.84 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 52.549999999999997 109.302 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.81 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.4 tm0? -126.69 105.3 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 71.439999999999998 110.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.96 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.49 171.04 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 73.230000000000004 109.315 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.94 94.57 4.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 53.409999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.047 HG21 ' CH2' ' A' ' 21' ' ' TRP . 29.7 t -90.42 131.2 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.549999999999997 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.445 ' NH1' HD13 ' A' ' 68' ' ' LEU . 5.9 tpp180 -105.01 90.99 3.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 74.120000000000005 110.34 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.63 HD12 HG12 ' A' ' 38' ' ' VAL . 8.3 mp -69.38 -36.3 76.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 71.099999999999994 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.0 ttmt -140.51 156.52 46.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 64.340000000000003 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -60.45 -14.64 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 110.382 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -129.02 19.8 5.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 61.130000000000003 109.269 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 24.8 m -135.5 148.44 49.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 73.540000000000006 110.427 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 38' ' ' VAL . 1.5 tm? -141.48 129.45 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 70.340000000000003 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.721 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.3 tm? -115.68 96.28 5.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.439999999999998 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -74.62 122.09 22.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.37 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.7 tm? -105.16 125.33 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.150000000000006 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.542 ' N ' HD13 ' A' ' 48' ' ' LEU . 6.7 m170 -121.95 124.04 43.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 74.209999999999994 109.596 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.1 tt -102.14 126.22 56.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.230000000000004 109.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 20.4 p90 -143.77 150.01 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 111.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.653 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -105.7 151.37 24.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.973 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' OD1' ' CD2' ' A' ' 56' ' ' TYR . 57.9 t0 -111.33 133.84 53.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 44.130000000000003 109.27 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -88.18 3.41 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 73.030000000000001 109.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -104.81 -17.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.703 ' O ' HG22 ' A' ' 58' ' ' VAL . 18.9 m-30 -116.55 -13.65 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 75.319999999999993 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' O ' HG13 ' A' ' 58' ' ' VAL . 34.4 m-70 57.51 37.81 27.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 70.25 109.625 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -156.8 162.03 28.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 74.099999999999994 109.281 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 118' ' ' THR . 18.3 Cg_endo -74.98 166.99 28.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 61.310000000000002 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.573 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -138.12 -174.21 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 73.349999999999994 110.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.574 HG13 ' CD1' ' A' ' 137' ' ' TYR . 1.6 mm -138.32 138.6 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 74.340000000000003 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.538 ' HZ3' ' HD1' ' A' ' 110' ' ' TYR . 10.1 tttp -155.43 130.57 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.25 109.266 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 22.7 p90 -148.51 173.89 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 61.340000000000003 111.012 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.835 ' HB3' HD11 ' A' ' 79' ' ' LEU . 19.2 mtm180 -147.25 134.14 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 70.530000000000001 110.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 79' ' ' LEU . 77.3 mt -76.44 144.38 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 74.200000000000003 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.726 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 80.4 m95 -138.72 152.98 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 74.319999999999993 108.039 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.87 ' HB2' HD11 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -129.15 97.7 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 73.530000000000001 109.982 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.445 HD13 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.8 124.97 22.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 72.25 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.19 113.65 22.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.049999999999997 109.305 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.7 36.61 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.91 -40.32 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.120000000000005 110.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.615 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.9 mt-10 -106.95 -3.12 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 110.248 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 66.86 50.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.450000000000003 109.286 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.74 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.86 -8.25 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 71.140000000000001 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.6 t 79.11 44.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 33.340000000000003 110.04 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.74 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.68 177.29 9.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 63.439999999999998 109.979 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -169.16 165.71 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 74.5 109.313 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -155.15 145.42 21.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 63.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.88 HD12 ' O ' ' A' ' 65' ' ' LEU . 21.6 tp -66.24 130.6 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 61.439999999999998 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.87 HD11 ' HB2' ' A' ' 67' ' ' SER . 30.2 mt -95.24 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 93.96 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.120000000000005 110.407 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -126.47 167.0 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 109.267 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 t -71.94 -168.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 34.520000000000003 109.972 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -72.77 -54.85 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 73.439999999999998 109.294 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.7 m -39.23 -30.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 65.400000000000006 110.045 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.844 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.9 mt-10 -87.01 -47.89 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 50.219999999999999 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.666 ' CD1' HD11 ' A' ' 65' ' ' LEU . 50.5 tp -54.89 -58.53 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 51.409999999999997 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -29.48 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 110.312 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.0 t -45.15 -28.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 63.020000000000003 110.034 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.69 -41.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 64.109999999999999 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 7.8 mt -75.32 165.15 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.310000000000002 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.807 ' O ' HG23 ' A' ' 140' ' ' ILE . 67.9 m-80 -126.78 103.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 64.430000000000007 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.59 -58.01 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 53.439999999999998 109.306 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.16 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 62.450000000000003 110.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.9 t -113.65 -18.67 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.734 . . . . 71.439999999999998 110.359 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 140' ' ' ILE . 3.0 m-85 -74.03 -173.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 64.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.4 m -143.99 -175.76 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 62.43 109.967 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.754 HG23 HG12 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -150.14 169.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 53.119999999999997 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' TYR . 2.2 m -149.01 105.78 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 110.394 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.882 HD21 ' CG1' ' A' ' 109' ' ' VAL . 3.0 tt -94.45 128.48 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.353 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.679 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.1 t -133.44 150.34 51.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 64.420000000000002 110.024 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 106' ' ' MET . 67.5 m -132.52 144.18 50.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 110.411 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.66 165.87 24.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 71.109999999999999 109.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -63.24 -12.94 32.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 73.549999999999997 110.983 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -91.15 -21.86 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 52.140000000000001 110.271 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.477 ' HA ' HG22 ' A' ' 102' ' ' THR . 3.4 ttp 59.54 20.33 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 72.439999999999998 111.023 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.35 -16.02 22.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 70.099999999999994 109.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.6 p -132.12 152.47 51.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 70.150000000000006 110.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.882 ' CG1' HD21 ' A' ' 100' ' ' LEU . 16.2 t -145.66 155.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 73.420000000000002 109.239 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.538 ' HD1' ' HZ3' ' A' ' 62' ' ' LYS . 5.1 m-85 -146.5 151.87 38.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 75.430000000000007 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.825 ' CE1' HD12 ' A' ' 100' ' ' LEU . 12.4 m-85 -117.88 74.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 54.32 111.026 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 83.3 m-85 -64.02 113.89 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 71.150000000000006 111.019 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.754 HG12 HG23 ' A' ' 98' ' ' VAL . 2.4 mt -82.66 127.7 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 65.409999999999997 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 113' ' ' ILE . 3.2 m-80 -40.02 117.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 64.219999999999999 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 60' ' ' SER . 7.7 p-10 -136.73 12.4 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 74.109999999999999 109.253 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -60.16 -47.59 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 108.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.551 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -92.72 57.62 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.585 HG21 ' HB ' ' A' ' 58' ' ' VAL . 1.8 m -71.68 -45.57 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.5 110.403 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -62.32 -28.37 69.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 73.209999999999994 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.59 -11.7 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 55.119999999999997 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 0.8 OUTLIER -85.38 -63.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.430000000000007 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.581 HG22 HD13 ' A' ' 136' ' ' LEU . 2.8 t -93.89 -65.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 37.19 32.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.138 . . . . 71.099999999999994 111.003 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 122' ' ' VAL . 94.8 p -82.85 -75.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 73.239999999999995 110.017 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.417 ' N ' ' OG ' ' A' ' 124' ' ' SER . 19.0 m-20 -157.13 135.97 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 63.32 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.797 HG13 HD13 ' A' ' 2' ' ' LEU . 20.8 t -63.09 -13.8 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 71.120000000000005 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.91 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.5 110.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.3 OUTLIER -111.4 46.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 72.230000000000004 109.604 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.417 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 3.4 t80 -78.62 -42.16 29.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.430000000000007 111.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.82 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.4 mm? -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.1 p -90.03 -50.74 5.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 75.329999999999998 110.383 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 12.2 ttt180 -66.11 -17.05 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.651 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 63.1 t90 -85.81 -62.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 108.058 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.82 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -52.59 -54.43 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 134' ' ' ILE . 47.7 t -56.76 -16.83 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 41.32 109.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.692 ' CD2' ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -92.43 -33.81 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 16.2 m-85 -94.15 -2.44 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.540000000000006 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.2 tp -88.14 -22.6 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 75.209999999999994 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.572 ' NH2' HG11 ' A' ' 146' ' ' VAL . 46.2 mtt-85 -68.5 -7.93 36.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 110.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.807 HG23 ' O ' ' A' ' 92' ' ' ASN . 13.5 mt -90.27 -10.86 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 73.299999999999997 109.294 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.41 -28.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 64.109999999999999 111.021 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.56 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.07 119.93 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 109.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.67 HD12 ' CG ' ' A' ' 92' ' ' ASN . 5.3 mt -98.68 2.72 47.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 72.129999999999995 109.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.43 -17.06 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.230000000000004 109.34 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 0.8 OUTLIER -105.87 109.34 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.319999999999993 110.958 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.572 HG11 ' NH2' ' A' ' 139' ' ' ARG . 0.0 OUTLIER -117.82 96.04 48.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 72.120000000000005 109.31 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.856 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 75.439999999999998 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.478 ' OG ' ' CG1' ' A' ' 58' ' ' VAL . 1.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.001 -0.37 . . . . 61.409999999999997 110.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.24 20.79 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.450000000000003 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.047 HD13 HG13 ' A' ' 126' ' ' VAL . 33.3 tp -50.68 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 53.210000000000001 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -54.11 166.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 62.420000000000002 110.392 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -71.36 -44.93 13.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.109999999999999 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -11.57 21.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 75.299999999999997 111.019 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -88.74 -36.03 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 110.334 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.902 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -84.29 -20.25 32.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 111.023 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 17.7 m-20 -79.27 -16.51 56.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 64.219999999999999 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -72.35 -23.87 61.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 74.25 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.4 mt-30 -111.56 15.7 21.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -62.77 -48.1 86.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.283 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 71.219999999999999 110.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.6 m-20 -90.91 -36.6 14.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 53.310000000000002 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.739 HG13 HG12 ' A' ' 134' ' ' ILE . 24.5 t -66.56 -54.59 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 72.510000000000005 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.934 ' O ' HG23 ' A' ' 19' ' ' THR . 9.8 ptt180 -63.5 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -51.21 -44.07 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 63.329999999999998 109.976 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -87.23 -30.9 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 72.010000000000005 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.832 ' N ' HD12 ' A' ' 17' ' ' LEU . 7.3 tp -57.84 -19.99 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 109.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 15' ' ' ARG . 82.2 p -63.79 -11.77 29.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.010000000000005 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -78.51 -26.8 45.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 71.140000000000001 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.787 ' CH2' HG11 ' A' ' 38' ' ' VAL . 4.6 t90 -59.42 134.46 57.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 71.519999999999996 108.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.94 -10.26 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 63.020000000000003 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 18.4 mmmt -81.75 -26.25 34.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 74.310000000000002 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG23 ' CE3' ' A' ' 21' ' ' TRP . 87.1 t -69.38 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 109.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -112.32 -37.57 4.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 64.5 110.287 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -127.13 136.12 51.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 51.219999999999999 110.282 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.532 HD13 HD23 ' A' ' 36' ' ' LEU . 2.3 mm -119.57 106.14 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 73.319999999999993 109.268 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.493 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.0 tt0 -129.67 135.58 48.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.58 ' HA ' HD23 ' A' ' 34' ' ' LEU . 15.2 p-10 -96.74 164.0 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 65.319999999999993 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 34' ' ' LEU . 35.6 m -138.71 168.34 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 63.420000000000002 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -91.7 37.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 62.039999999999999 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -177.34 36.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 60.439999999999998 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.87 -124.22 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 71.129999999999995 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -162.94 149.33 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 41.229999999999997 109.307 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.7 tm0? -130.04 115.26 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 52.509999999999998 110.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.794 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -123.9 172.17 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 109.298 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.719 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -131.6 96.69 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.099999999999994 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.929 ' O ' HD22 ' A' ' 45' ' ' LEU . 2.8 t -85.13 148.62 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 73.329999999999998 109.27 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.19 79.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.249 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.04 HD13 HD12 ' A' ' 90' ' ' ILE . 14.4 mt -51.48 -45.93 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 60.530000000000001 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -136.51 158.89 43.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 71.200000000000003 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -61.45 -13.34 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 75.299999999999997 110.375 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.0 12.61 6.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 63.409999999999997 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 66' ' ' TRP . 62.7 m -129.09 156.94 43.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 73.019999999999996 110.387 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 38' ' ' VAL . 2.2 tm? -136.24 143.82 44.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.409999999999997 109.297 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm? -128.27 104.99 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 55.229999999999997 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 0.9 OUTLIER -90.53 121.78 32.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 73.230000000000004 110.292 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.766 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 0.4 OUTLIER -108.79 128.42 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 72.299999999999997 109.36 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 3.9 m170 -124.39 104.04 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 109.595 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 13.8 tt -85.12 143.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 71.200000000000003 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 14.4 p90 -154.8 -178.49 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.040000000000006 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.617 ' CG ' HD23 ' A' ' 4' ' ' LEU . 32.6 t80 -98.36 143.14 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 111.008 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' HIS . 17.2 t0 -113.94 82.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 73.140000000000001 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.491 ' CE1' ' CD2' ' A' ' 52' ' ' TYR . 50.3 m-70 -55.96 -18.81 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.626 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 56' ' ' TYR . 92.2 t -57.01 -43.61 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.409999999999997 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 55' ' ' VAL . 14.9 m-85 -122.56 3.11 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 75.340000000000003 110.979 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 32.6 m-70 60.21 49.09 7.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 73.140000000000001 109.612 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.662 ' HB ' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -150.24 164.03 22.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 71.230000000000004 109.318 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 147.46 33.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 73.409999999999997 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 10.3 t -128.71 179.92 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.983 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 5.4 mt -134.83 143.01 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 0.5 OUTLIER -155.42 118.45 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 75.540000000000006 109.29 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 111' ' ' TYR . 21.2 p90 -134.27 171.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.329999999999998 110.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 13.8 mtm180 -140.78 124.9 17.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 110.275 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 79' ' ' LEU . 72.3 mt -67.0 146.92 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 74.030000000000001 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.612 ' O ' HG23 ' A' ' 44' ' ' THR . 86.0 m95 -139.98 154.11 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 108.01 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.818 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.55 97.66 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 74.230000000000004 110.019 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -66.87 123.71 20.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 63.119999999999997 109.312 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.65 109.43 16.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 34.83 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.420000000000002 110.425 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -42.89 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 65.230000000000004 110.29 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 4.9 mt-10 -105.81 -11.57 16.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 71.239999999999995 110.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.77 52.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -112.8 -3.47 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 44.310000000000002 109.268 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t 70.75 41.86 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 110.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.834 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -80.03 175.02 11.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 31.23 110.023 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.6 pp -169.33 162.92 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 60.140000000000001 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.82 134.5 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 110.27 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.928 HD21 ' HB ' ' A' ' 109' ' ' VAL . 7.3 tp -55.12 125.32 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 75.150000000000006 109.357 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.818 HD11 ' HB2' ' A' ' 67' ' ' SER . 30.1 mt -90.42 142.66 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 71.099999999999994 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -137.04 96.26 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.239999999999995 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -129.86 167.17 18.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.304 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -65.3 -171.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 70.310000000000002 110.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' ARG . 67.4 m-20 -73.12 -36.43 66.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 51.219999999999999 109.32 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.7 m -48.26 -42.24 30.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 109.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.829 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.3 mt-10 -82.55 -45.23 14.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 73.239999999999995 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.21 -20.06 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 73.400000000000006 109.273 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.472 ' N ' HD13 ' A' ' 87' ' ' LEU . 1.9 tmt_? -89.54 -20.51 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 64.030000000000001 110.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -59.73 -15.99 24.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 110.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.04 HD12 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -123.77 -47.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 74.510000000000005 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.69 HD12 HD21 ' A' ' 87' ' ' LEU . 3.2 mt -79.34 173.24 12.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 45.140000000000001 109.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.751 ' CG ' HD12 ' A' ' 143' ' ' LEU . 64.7 m-80 -136.48 106.07 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.439999999999998 109.262 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.81 -58.2 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.340000000000003 109.252 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.96 -81.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 45.039999999999999 111.04 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.9 t -113.59 -20.76 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 60.119999999999997 110.373 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.36 -176.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.540000000000006 110.965 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -144.88 160.0 41.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 62.439999999999998 109.965 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 99' ' ' THR . 8.1 p -135.27 168.53 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.040000000000006 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.447 ' H ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -141.99 109.53 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 51.130000000000003 110.424 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.847 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -90.37 126.3 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 52.340000000000003 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.526 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.8 t -119.15 137.73 53.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 41.329999999999998 109.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.729 HG23 HG22 ' A' ' 109' ' ' VAL . 12.7 m -144.67 151.49 39.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 73.010000000000005 110.388 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -98.07 161.45 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 109.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -52.06 -37.72 54.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 74.200000000000003 111.009 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -29.29 53.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 70.329999999999998 110.312 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 31.9 mtp 62.24 24.09 14.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 64.420000000000002 111.023 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.32 -35.36 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 62.25 109.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m -110.28 133.25 53.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 55.149999999999999 109.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.928 ' HB ' HD21 ' A' ' 79' ' ' LEU . 85.1 t -146.13 161.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 55.340000000000003 109.266 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 109' ' ' VAL . 1.5 m-85 -153.29 179.55 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.209999999999994 110.998 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.847 ' CE1' HD12 ' A' ' 100' ' ' LEU . 41.4 m-85 -137.67 81.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.549999999999997 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.569 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 80.8 m-85 -70.84 108.54 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 53.240000000000002 111.03 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.442 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.9 mt -69.49 146.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 73.540000000000006 109.323 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.527 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -66.92 110.32 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.308 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 32.9 t30 -129.73 38.06 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 65.120000000000005 109.304 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.09 -45.7 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 62.420000000000002 108.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -95.3 61.83 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 73.409999999999997 109.312 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.662 HG21 ' HB ' ' A' ' 58' ' ' VAL . 97.3 m -65.82 -60.21 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 70.010000000000005 110.387 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 109.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.54 -12.1 46.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 63.25 109.325 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 11.1 m-20 -84.8 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.450000000000003 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 129' ' ' TYR . 7.0 p -104.96 -51.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.507 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 37.41 38.33 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -73.93 -80.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 62.43 109.975 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -161.27 138.92 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.450000000000003 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.047 HG13 HD13 ' A' ' 2' ' ' LEU . 41.1 t -62.82 -14.01 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.409999999999997 109.331 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.32 -67.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 61.25 110.279 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -116.65 46.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.589 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.558 ' CE1' HG13 ' A' ' 122' ' ' VAL . 3.7 t80 -75.24 -37.46 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 110.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.902 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.6 mm? -58.44 -28.81 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 75.450000000000003 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 134' ' ' ILE . 18.3 p -88.53 -49.34 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 64.109999999999999 110.433 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -66.25 -16.86 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 73.239999999999995 110.356 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.646 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 69.9 t90 -87.08 -60.92 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.948 -1.13 . . . . 73.030000000000001 107.948 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.83 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -54.18 -54.42 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 61.049999999999997 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 134' ' ' ILE . 41.3 t -57.43 -15.62 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 61.299999999999997 110.011 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -93.89 -34.67 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 9.0 m-85 -94.35 -2.24 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 71.030000000000001 111.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 134' ' ' ILE . 6.8 tp -84.22 -29.45 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 65.129999999999995 109.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 139' ' ' ARG . 14.5 mtm105 -60.11 -30.11 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.219999999999999 110.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 92' ' ' ASN . 11.2 mt -67.75 -9.37 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 55.439999999999998 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 98.0 m-85 -119.05 -31.66 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.57 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 1.1 p30 -148.51 107.46 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 64.450000000000003 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.751 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.4 mt -86.25 3.25 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 73.340000000000003 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.62 -12.08 17.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 18.3 t80 -121.02 108.92 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.230000000000004 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.13 94.32 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 72.200000000000003 109.339 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.79 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 73.099999999999994 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.56 ' N ' HG13 ' A' ' 58' ' ' VAL . 1.9 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.009 -0.367 . . . . 71.140000000000001 110.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' HG23 ' A' ' 3' ' ' THR . 11.9 ptm -118.16 -11.13 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 65.010000000000005 110.974 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.821 HD12 HG13 ' A' ' 126' ' ' VAL . 5.8 tp -50.25 98.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 62.210000000000001 109.294 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.48 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 71.0 p -73.18 -167.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 54.100000000000001 110.426 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.64 -46.06 4.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.283 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.98 -7.73 19.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 72.049999999999997 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.53 -37.98 15.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 70.319999999999993 110.276 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.959 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.63 -35.89 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 110.977 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.569 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.1 t-20 -65.09 -17.91 64.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -73.21 -22.98 60.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.25 110.265 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 3.5 mt-30 -118.37 18.87 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 110.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.959 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -62.57 -47.84 87.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 70.549999999999997 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.17 9.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 72.409999999999997 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.5 m-20 -90.83 -33.64 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.510000000000005 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 130' ' ' LEU . 16.3 t -70.22 -54.68 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 63.219999999999999 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.877 ' O ' HG23 ' A' ' 19' ' ' THR . 19.6 ptt180 -64.58 -34.74 78.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -52.53 -44.0 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 44.420000000000002 110.015 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.938 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.2 pp -86.57 -31.91 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 62.329999999999998 109.259 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.826 ' N ' HD12 ' A' ' 17' ' ' LEU . 5.8 tp -56.37 -23.07 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.877 HG23 ' O ' ' A' ' 15' ' ' ARG . 68.8 p -57.08 -16.82 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 64.120000000000005 110.415 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -74.24 -30.47 62.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.9 t90 -55.64 128.13 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.540000000000006 108.032 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.97 -11.39 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 55.299999999999997 109.28 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -82.43 -16.06 50.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 63.109999999999999 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 51.8 t -78.63 123.46 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 62.310000000000002 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.02 -25.92 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 62.240000000000002 110.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -125.51 132.94 52.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.25 110.334 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mm -126.2 109.06 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.310000000000002 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.2 tt0 -143.57 146.17 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 64.340000000000003 110.247 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.571 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.0 p-10 -108.07 157.08 18.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 64.019999999999996 109.263 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 33' ' ' GLY . 1.3 m -131.66 175.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 51.030000000000001 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.45 92.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 110.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 74.03 49.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 75.230000000000004 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 174.55 -174.62 46.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.438 1.086 . . . . 53.539999999999999 111.001 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.26 144.71 26.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 54.43 109.319 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -129.38 111.8 13.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 74.519999999999996 110.274 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.747 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.01 168.99 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.291 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -118.78 95.12 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.428 HG11 ' CH2' ' A' ' 21' ' ' TRP . 5.5 t -82.29 123.93 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 73.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -85.42 79.67 9.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 65.140000000000001 110.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.927 HD13 HD12 ' A' ' 90' ' ' ILE . 16.1 mt -55.62 -37.1 67.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 72.120000000000005 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 18.2 ttmt -145.32 157.84 43.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 73.540000000000006 109.276 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -59.14 -15.65 15.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.099999999999994 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -130.01 20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 52.520000000000003 109.331 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 66' ' ' TRP . 34.6 m -133.72 151.84 51.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 110.396 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.958 HD11 ' HG3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -135.24 139.32 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 62.509999999999998 109.261 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.692 ' HG ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -125.93 107.39 10.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 51.340000000000003 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.958 ' HG3' HD11 ' A' ' 45' ' ' LEU . 23.9 mt-10 -85.89 107.12 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.340000000000003 110.272 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.667 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.3 tt -96.19 140.8 30.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.040000000000006 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -134.96 126.57 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.643 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 6.9 tt -105.93 127.07 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.349999999999994 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -138.89 172.53 12.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 63.439999999999998 111.018 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CG ' HD22 ' A' ' 4' ' ' LEU . 61.5 t80 -102.32 150.08 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 110.973 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.13 111.19 20.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 64.040000000000006 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -81.04 3.74 22.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 71.120000000000005 109.606 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -85.95 -40.36 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 64.219999999999999 109.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.04 -7.67 9.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 64.519999999999996 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 64.7 51.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.579 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.33 165.3 18.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 109.337 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.3 32.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 61.039999999999999 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 13.1 t -124.38 171.4 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 73.109999999999999 110.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.566 HD11 ' CZ2' ' A' ' 133' ' ' TRP . 13.6 mt -138.54 137.54 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.409999999999997 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 25.8 ttpt -155.58 123.4 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 6.7 p90 -136.45 166.73 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 73.010000000000005 110.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.635 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 5.0 mtp180 -132.51 124.85 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 73.329999999999998 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.97 HD11 HD23 ' A' ' 87' ' ' LEU . 64.7 mt -72.85 138.66 46.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 71.219999999999999 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.635 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 89.4 m95 -127.93 171.21 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 55.25 108.03 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.594 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -142.54 97.47 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 40.030000000000001 109.998 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 122.68 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 73.239999999999995 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -118.4 113.34 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 75.349999999999994 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 29.79 5.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 60.43 110.378 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.44 -42.08 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 110.321 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.9 mt-10 -105.31 -14.95 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 63.219999999999999 110.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.4 t70 81.74 48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 74.030000000000001 109.278 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.814 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.96 -2.12 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 73.040000000000006 109.289 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t 73.56 43.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 35.219999999999999 110.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.814 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -78.14 176.75 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 63.219999999999999 109.991 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.8 pp -169.39 164.86 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 64.209999999999994 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' SER . 45.8 ttp85 -155.28 158.41 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.310000000000002 110.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 64' ' ' ARG . 8.7 tp -73.13 130.55 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 62.439999999999998 109.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 67' ' ' SER . 21.4 mt -95.19 162.64 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 72.219999999999999 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -155.18 104.84 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 71.140000000000001 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -134.43 167.07 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.349999999999994 109.278 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -71.07 -168.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -76.71 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 64.239999999999995 109.266 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 t -51.16 -32.74 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 63.329999999999998 110.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' HB3' HD12 ' A' ' 82' ' ' LEU . 6.5 mt-10 -82.54 -29.61 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 110.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.019 HD11 HD12 ' A' ' 91' ' ' LEU . 2.3 tm? -83.24 -15.16 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 61.020000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -81.09 -19.13 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 110.271 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -65.4 -22.19 66.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 109.995 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.927 HD12 HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -112.5 -34.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 63.020000000000003 109.272 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.019 HD12 HD11 ' A' ' 87' ' ' LEU . 19.1 mt -95.27 -179.67 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 52.520000000000003 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.9 m-80 -144.69 101.32 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 53.350000000000001 109.335 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -91.97 -58.38 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.510000000000005 109.334 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.62 -81.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -118.75 -8.25 10.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 110.396 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.0 -171.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 62.100000000000001 110.947 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -149.23 158.09 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.310000000000002 109.986 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.709 HG23 ' HA ' ' A' ' 113' ' ' ILE . 10.4 p -153.73 160.21 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 41.109999999999999 109.293 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -136.89 132.24 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 64.310000000000002 110.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.814 HD12 ' CE1' ' A' ' 111' ' ' TYR . 6.4 tt -92.2 136.54 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.716 ' N ' HD23 ' A' ' 100' ' ' LEU . 23.0 t -129.32 132.66 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 34.039999999999999 109.985 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.911 HG23 ' HB ' ' A' ' 109' ' ' VAL . 24.0 m -129.77 154.08 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 73.349999999999994 110.371 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.04 155.79 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 65.129999999999995 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 51.6 tpp -60.94 -24.45 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.420000000000002 111.02 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -75.47 -13.14 60.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 64.019999999999996 110.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.1 mtt 52.9 22.46 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 110.994 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -37.21 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 61.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 m -124.35 132.57 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 72.319999999999993 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.911 ' HB ' HG23 ' A' ' 102' ' ' THR . 2.9 p -134.74 163.1 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.140000000000001 109.276 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.463 ' N ' HG22 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -160.59 175.78 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.510000000000005 110.985 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CE1' HD12 ' A' ' 100' ' ' LEU . 34.0 m-85 -121.92 157.76 30.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.010000000000005 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 34.2 m-85 -136.67 103.3 5.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 111.057 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.709 ' HA ' HG23 ' A' ' 98' ' ' VAL . 4.9 mt -66.63 132.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 71.439999999999998 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' N ' HD22 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -51.06 110.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.261 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -141.67 28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 63.140000000000001 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.68 -41.86 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 45.43 108.298 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.896 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 61.4 m-20 -115.16 84.67 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 75.299999999999997 109.338 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.859 HG22 ' OH ' ' A' ' 129' ' ' TYR . 21.1 m -78.88 -57.14 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 110.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 0' ' ' SER . 13.7 t70 -59.39 -26.12 64.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.25 109.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.896 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.79 -15.36 37.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 21.100000000000001 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 20.3 m-20 -94.53 -69.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.430000000000007 109.253 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.778 ' HB ' HD13 ' A' ' 136' ' ' LEU . 8.0 p -82.56 -54.36 9.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 85.26 -19.9 20.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 42.43 111.001 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.588 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 12.4 t -38.09 142.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.8 . . . . 74.239999999999995 109.98 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.79 -178.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 2' ' ' LEU . 16.5 t -84.33 -8.54 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.319999999999993 109.318 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.41 -67.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.319999999999993 110.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.08 47.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.628 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.859 ' OH ' HG22 ' A' ' 118' ' ' THR . 2.1 t80 -77.04 -47.9 19.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.209999999999994 111.018 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.3 mm? -67.92 -21.39 65.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 75.150000000000006 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 134' ' ' ILE . 7.4 p -89.72 -36.6 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 110.391 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -86.72 -16.51 36.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.450000000000003 110.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.566 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 80.4 t90 -86.4 -39.3 16.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 108.033 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.769 HD13 ' CG1' ' A' ' 14' ' ' VAL . 9.6 tp -61.99 -47.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 35.109999999999999 109.29 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.474 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 46.5 t -72.82 -3.68 27.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.982 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.778 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.53 -44.22 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 72.140000000000001 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -85.99 -48.62 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 61.329999999999998 111.021 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.773 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.2 tp -51.26 -30.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 71.230000000000004 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 135' ' ' SER . 9.3 mtp180 -59.01 -34.51 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 71.519999999999996 110.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASN . 74.4 mt -64.59 -10.82 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 109.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.667 ' CE2' HD12 ' A' ' 48' ' ' LEU . 5.7 m-85 -116.9 -27.47 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 71.310000000000002 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -147.98 100.65 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 55.420000000000002 109.269 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 92' ' ' ASN . 6.1 mt -84.8 2.66 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 60.219999999999999 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -102.2 -25.84 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 34.409999999999997 109.266 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 4.2 t80 -99.52 104.88 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 71.239999999999995 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 96.63 36.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 62.43 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.938 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 53.310000000000002 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.021 -0.363 . . . . 62.43 110.021 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.91 22.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 72.319999999999993 111.005 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.1 136.72 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 62.240000000000002 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.496 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 49.5 p -81.38 -174.02 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 62.119999999999997 110.401 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -77.58 -44.71 2.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 60.43 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.95 -11.79 21.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 75.310000000000002 111.013 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 4.9 mm-40 -88.27 -33.64 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.540000000000006 110.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.999 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.97 -19.71 25.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.993 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 5.8 t-20 -76.11 -15.15 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -71.36 -25.46 62.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 61.329999999999998 110.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -111.92 15.34 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 54.439999999999998 110.296 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.657 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -62.91 -46.86 87.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 61.009999999999998 109.283 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.97 0.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 54.439999999999998 111.001 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.8 m-20 -91.68 -34.72 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 74.340000000000003 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 130' ' ' LEU . 4.0 t -71.67 -47.13 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 72.010000000000005 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.824 ' O ' HG23 ' A' ' 19' ' ' THR . 31.0 ptt180 -68.8 -18.63 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.340000000000003 110.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' OG1' ' A' ' 19' ' ' THR . 13.3 t -75.55 -37.52 59.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 147' ' ' PRO . 4.6 pp -88.62 -29.34 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 72.329999999999998 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 17' ' ' LEU . 8.8 mt -71.27 -28.18 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -61.97 -12.46 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 73.540000000000006 110.37 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.65 -20.97 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.439999999999998 109.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.503 ' CE3' HG23 ' A' ' 24' ' ' VAL . 1.4 t90 -48.71 130.55 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 108.046 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 -1.53 57.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 43.32 109.234 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -101.58 -26.29 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 72.140000000000001 109.306 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.503 HG23 ' CE3' ' A' ' 21' ' ' TRP . 15.9 t -62.25 134.09 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 54.240000000000002 109.276 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' NH2' ' A' ' 39' ' ' ARG . 22.2 tt0 -111.71 -31.87 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 63.299999999999997 110.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -125.91 143.5 51.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 61.420000000000002 110.283 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 27' ' ' ILE . 7.8 mm -129.49 103.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 61.409999999999997 109.272 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -128.39 136.36 50.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 64.340000000000003 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' HA ' HD23 ' A' ' 34' ' ' LEU . 11.7 p-10 -109.45 139.42 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 34' ' ' LEU . 26.5 m -109.98 169.69 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 63.219999999999999 109.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 6.8 tt0 -90.95 21.41 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 74.219999999999999 110.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -153.93 26.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 63.310000000000002 109.305 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 30' ' ' VAL . . . 145.57 -121.33 1.48 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 53.020000000000003 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.537 ' N ' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -164.55 148.17 9.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 64.25 109.338 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.473 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.2 tm0? -132.86 110.88 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 74.299999999999997 110.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.46 168.81 9.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 71.430000000000007 109.299 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 4.4 m-20 -127.99 95.45 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.010000000000005 109.257 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' HD22 ' A' ' 45' ' ' LEU . 2.2 t -88.06 148.55 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 73.200000000000003 109.332 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NH2' ' OE2' ' A' ' 25' ' ' GLU . 17.3 tpp180 -106.1 78.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.046 ' CD1' HD12 ' A' ' 90' ' ' ILE . 11.8 mt -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 62.399999999999999 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.8 ttmt -144.97 157.37 44.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 54.520000000000003 109.32 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -58.9 -19.81 45.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 74.530000000000001 110.382 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.74 21.8 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 60.109999999999999 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 66' ' ' TRP . 13.6 m -139.01 141.66 38.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 55.350000000000001 110.376 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.598 ' C ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm? -124.23 129.38 50.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 73.099999999999994 109.278 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.848 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.5 tm? -108.92 98.4 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.130000000000003 109.315 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.9 tt0 -80.38 105.43 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 110.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 141' ' ' PHE . 1.8 tt -96.19 129.82 43.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -133.21 126.77 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 64.049999999999997 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 12.2 tt -103.86 140.99 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 73.299999999999997 109.349 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 39.4 p90 -153.82 139.49 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 111.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CB ' HD23 ' A' ' 4' ' ' LEU . 80.0 t80 -68.16 136.28 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 74.219999999999999 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.646 ' CG ' HG22 ' A' ' 55' ' ' VAL . 9.1 t0 -100.62 109.54 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 74.219999999999999 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -79.78 1.46 26.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 72.319999999999993 109.631 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.671 HG23 ' CD2' ' A' ' 56' ' ' TYR . 2.2 m -85.36 -35.31 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 109.263 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.671 ' CD2' HG23 ' A' ' 55' ' ' VAL . 42.1 m-85 -122.42 -3.59 8.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 111.012 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.29 23.75 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 70.140000000000001 109.613 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' HB ' HG21 ' A' ' 118' ' ' THR . 0.0 OUTLIER -127.93 161.89 53.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 44.32 109.345 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 149.16 36.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 64.540000000000006 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -123.49 174.73 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.006 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.855 HD12 ' CD1' ' A' ' 137' ' ' TYR . 20.3 mt -138.98 129.42 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 109.26 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -142.74 133.11 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 64.049999999999997 109.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 91' ' ' LEU . 31.5 p90 -144.35 157.33 44.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 74.420000000000002 111.027 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 14.8 mtm180 -127.88 122.54 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.109999999999999 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 79' ' ' LEU . 35.1 mt -66.83 147.44 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 64.310000000000002 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.67 ' O ' HG23 ' A' ' 44' ' ' THR . 86.8 m95 -140.57 154.36 46.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 73.349999999999994 107.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.52 ' HB2' HD21 ' A' ' 80' ' ' LEU . 6.2 t -126.15 97.35 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 110.063 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -66.42 120.52 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 62.140000000000001 109.279 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.26 112.51 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 74.030000000000001 109.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.97 32.97 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 73.349999999999994 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -42.7 -43.24 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.540000000000006 110.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.6 mt-10 -104.97 -13.77 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.439999999999998 110.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t0 81.85 50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.38 -8.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.540000000000006 109.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 80.09 42.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 109.994 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.81 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -75.37 -177.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 64.329999999999998 110.015 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.8 pp -174.49 163.46 3.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 74.340000000000003 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 130.97 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 65' ' ' LEU . 11.5 tp -56.69 134.36 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 67' ' ' SER . 72.8 mt -99.89 140.93 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 63.109999999999999 109.318 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.0 m -136.36 87.68 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 51.350000000000001 110.415 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -120.87 167.19 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.549999999999997 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.4 m -57.7 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 60.509999999999998 109.98 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -81.37 -27.84 34.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 109.304 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -64.26 -42.32 96.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 72.109999999999999 110.02 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . 3.7 mm-40 -72.92 -46.83 50.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 62.350000000000001 110.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.907 HD21 HD12 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -57.4 -44.05 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 71.319999999999993 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.509 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -54.95 -18.53 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 71.120000000000005 110.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 8.9 t -57.08 -20.21 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 40.240000000000002 110.026 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.046 HD12 ' CD1' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -118.64 -40.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 71.129999999999995 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.907 HD12 HD21 ' A' ' 87' ' ' LEU . 10.9 mt -86.49 178.37 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 109.307 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.792 ' O ' HG23 ' A' ' 140' ' ' ILE . 70.2 m-80 -140.1 105.1 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 65.239999999999995 109.254 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.98 -57.96 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 52.130000000000003 109.334 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.5 -81.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 23.140000000000001 110.972 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.8 t -118.23 12.14 13.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 0.771 . . . . 72.129999999999995 110.429 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -103.85 -177.03 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 70.030000000000001 111.047 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.4 t -145.81 166.66 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 63.100000000000001 110.019 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 99' ' ' THR . 6.7 p -140.7 166.42 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 63.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' VAL . 5.5 m -135.06 107.18 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 73.049999999999997 110.38 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.974 HD12 ' CE1' ' A' ' 111' ' ' TYR . 5.4 tt -97.42 123.72 41.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.010000000000005 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.449 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.8 t -119.62 135.42 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 73.319999999999993 110.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.781 HG23 HG22 ' A' ' 109' ' ' VAL . 17.2 m -125.51 151.17 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 110.418 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -88.74 164.94 15.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 109.328 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.4 mtt -63.52 -11.75 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 61.140000000000001 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -91.14 -10.89 40.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 110.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtt 50.78 25.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.049999999999997 110.98 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.42 -31.59 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 72.409999999999997 109.295 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 128.61 56.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 75.25 110.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.781 HG22 HG23 ' A' ' 102' ' ' THR . 18.0 t -146.46 153.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 70.010000000000005 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -146.75 168.06 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 75.439999999999998 110.994 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.974 ' CE1' HD12 ' A' ' 100' ' ' LEU . 39.0 m-85 -123.24 78.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 70.319999999999993 110.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.555 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 87.8 m-85 -69.76 100.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 75.519999999999996 110.989 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -54.11 143.36 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 73.019999999999996 109.305 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.7 105.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 62.140000000000001 109.306 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 14.7 t30 -126.55 65.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 74.310000000000002 109.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 12.6 t -103.29 -55.54 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 62.009999999999998 108.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.8 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 20.8 p-10 -90.55 61.23 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 53.32 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.497 HG21 ' HB ' ' A' ' 58' ' ' VAL . 2.5 m -67.13 -49.56 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 55.039999999999999 110.425 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -67.45 -30.72 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.8 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.6 -10.76 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 32.539999999999999 109.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 6.3 m-20 -84.44 -69.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.927 ' HB ' HD13 ' A' ' 136' ' ' LEU . 3.1 p -99.07 -50.33 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 42.530000000000001 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 35.95 61.6 0.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -76.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 62.43 109.972 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.06 140.35 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 71.030000000000001 109.289 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.423 HG13 HD12 ' A' ' 2' ' ' LEU . 48.7 t -62.91 -21.35 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 73.25 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -48.15 -67.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 110.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -127.6 47.0 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.230000000000004 109.584 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.533 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 5.8 t80 -65.44 -27.6 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.310000000000002 111.033 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.999 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -61.71 -30.48 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 74.299999999999997 109.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.3 p -83.67 -46.25 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 63.109999999999999 110.427 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.77 ' O ' HG21 ' A' ' 122' ' ' VAL . 2.7 tpt180 -71.99 -17.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 72.3 t90 -86.79 -58.97 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 75.209999999999994 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.636 HG12 HG13 ' A' ' 14' ' ' VAL . 9.2 tp -55.53 -53.98 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 73.329999999999998 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.509 ' N ' HG23 ' A' ' 134' ' ' ILE . 41.6 t -54.06 -18.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 74.239999999999995 109.991 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.927 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.2 OUTLIER -90.75 -33.77 15.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 70.310000000000002 109.301 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.855 ' CD1' HD12 ' A' ' 61' ' ' ILE . 14.6 m-85 -94.26 -2.54 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 110.975 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 145' ' ' PHE . 2.9 tp -83.27 -27.0 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 71.109999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -69.27 -5.75 24.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 45.109999999999999 110.31 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 92' ' ' ASN . 6.0 mt -92.92 -10.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 63.240000000000002 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.509 ' CE1' HD12 ' A' ' 48' ' ' LEU . 94.9 m-85 -115.96 -39.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 71.510000000000005 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.465 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -147.89 113.75 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 75.209999999999994 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.7 mt -85.94 3.38 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.268 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.24 -15.74 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 138' ' ' ILE . 42.1 t80 -76.73 112.25 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 72.120000000000005 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.85 102.71 46.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 72.120000000000005 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.852 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 71.209999999999994 111.044 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 119' ' ' ASP . 3.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.965 -0.383 . . . . 61.340000000000003 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptp -81.25 -16.43 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 73.310000000000002 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.804 HD13 HG13 ' A' ' 126' ' ' VAL . 21.2 tp -50.63 100.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 65.340000000000003 109.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.6 p -64.88 -172.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 110.406 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.51 -45.57 3.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 75.129999999999995 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.92 -11.05 21.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 72.319999999999993 111.048 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HB3' HD12 ' A' ' 2' ' ' LEU . 30.8 mm-40 -88.78 -32.92 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.109999999999999 110.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.925 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.28 -20.32 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 75.319999999999993 111.007 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 12.4 m-20 -79.75 -15.25 57.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 109.256 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 71.109999999999999 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -114.5 15.84 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.439999999999998 110.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.93 -47.46 98.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.219999999999999 109.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 63.240000000000002 111.001 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.2 m-20 -93.54 -35.65 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 62.530000000000001 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.752 HG13 HG12 ' A' ' 134' ' ' ILE . 39.2 t -65.4 -50.77 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 60.43 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 19' ' ' THR . 8.2 ptm180 -65.25 -29.65 70.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 72.329999999999998 110.322 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -59.4 -41.99 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.984 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.917 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -85.84 -32.44 21.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 53.119999999999997 109.335 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.917 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.4 tp -55.99 -23.51 33.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.409999999999997 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.875 HG23 ' O ' ' A' ' 15' ' ' ARG . 81.7 p -57.85 -29.17 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 54.530000000000001 110.417 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 57.1 mmtt -58.49 -21.13 50.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.993 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -71.09 110.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 73.340000000000003 107.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.33 -13.25 58.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 71.010000000000005 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -76.52 -26.25 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 72.200000000000003 109.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' ' 21' ' ' TRP . 41.4 t -61.5 138.68 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.259 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' CD ' ' NH2' ' A' ' 39' ' ' ARG . 13.0 tt0 -115.92 -34.75 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 110.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -124.99 155.68 39.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 110.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.59 HD13 HD23 ' A' ' 36' ' ' LEU . 2.2 mm -138.49 106.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 63.240000000000002 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.72 151.45 51.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 110.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.92 151.15 30.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.099999999999994 109.333 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.469 HG22 ' CA ' ' A' ' 34' ' ' LEU . 6.3 m -128.48 157.43 40.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 72.409999999999997 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 8.7 tt0 -59.09 92.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.120000000000005 110.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER 81.98 58.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 75.010000000000005 109.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.37 -160.91 30.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 111.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CA ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -158.98 154.77 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 72.310000000000002 109.272 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.459 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -139.31 114.36 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.340000000000003 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.82 HD21 HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -122.93 169.05 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 71.329999999999998 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.5 95.57 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 51.149999999999999 109.277 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.993 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 59.6 t -86.66 112.37 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 72.219999999999999 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' CD ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -82.4 94.51 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 63.240000000000002 110.297 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 46' ' ' LEU . 9.0 mp -76.98 -40.97 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.219999999999999 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -136.79 156.81 48.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 m -59.7 -15.73 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.349999999999994 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -131.38 22.0 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.341 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 10.5 m -139.74 138.11 35.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 61.340000000000003 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.986 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -131.03 133.92 46.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.986 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.6 tm? -114.46 85.98 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.338 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 2.2 tp10 -67.3 107.53 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 71.209999999999994 110.274 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 HG23 ' A' ' 61' ' ' ILE . 2.1 tm? -90.64 128.68 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 55.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.552 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 1.6 m170 -129.46 116.71 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 64.099999999999994 109.607 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -94.49 131.52 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.420000000000002 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.451 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 7.3 p90 -147.87 141.03 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.400000000000006 111.002 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.685 ' CD1' HD23 ' A' ' 4' ' ' LEU . 29.7 t80 -86.4 141.25 29.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 74.430000000000007 111.044 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.744 ' OD1' HG23 ' A' ' 55' ' ' VAL . 54.9 t0 -114.47 127.78 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.329999999999998 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -83.47 3.81 30.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 64.420000000000002 109.62 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.744 HG23 ' OD1' ' A' ' 53' ' ' ASP . 55.2 t -70.24 -45.16 76.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.239999999999995 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD2' HG12 ' A' ' 55' ' ' VAL . 61.0 m-85 -119.55 -0.23 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 111.009 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.407 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.6 m-70 64.94 48.5 2.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 109.554 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.565 HG11 ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.33 165.2 18.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 61.409999999999997 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 7' ' ' TYR . 18.6 Cg_endo -74.95 155.1 43.13 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 74.019999999999996 111.041 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.451 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 29.7 t -136.65 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 51.539999999999999 110.012 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD2' ' A' ' 137' ' ' TYR . 1.4 mp -130.36 148.09 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 16.9 ttpt -155.17 119.04 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 61.539999999999999 109.338 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.676 ' CD1' HD21 ' A' ' 46' ' ' LEU . 52.1 p90 -136.45 171.11 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.129999999999995 111.025 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.834 ' HB3' HD11 ' A' ' 79' ' ' LEU . 18.3 mtm180 -143.0 128.05 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.022 HD11 HD23 ' A' ' 87' ' ' LEU . 64.3 mt -65.96 137.98 57.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.671 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 91.4 m95 -133.52 150.85 51.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.973 -1.121 . . . . 70.549999999999997 107.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.49 ' HB3' HD11 ' A' ' 80' ' ' LEU . 60.4 p -125.23 97.6 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 109.992 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -68.06 122.5 18.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 64.299999999999997 109.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -117.67 113.75 22.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 109.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.19 34.01 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 70.310000000000002 110.387 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -55.64 -36.19 66.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 64.219999999999999 110.256 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.657 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.56 -1.98 20.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 75.219999999999999 110.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.33 47.85 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 44.530000000000001 109.346 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.734 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.08 -8.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 51.149999999999999 109.323 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.8 t 79.17 50.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 74.150000000000006 110.033 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.633 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.93 -176.17 5.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.430000000000007 110.009 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.9 pp -172.75 167.15 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 75.519999999999996 109.275 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -155.18 133.36 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 71.450000000000003 110.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 65' ' ' LEU . 21.3 tp -60.99 132.8 55.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 72.099999999999994 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 67' ' ' SER . 64.1 mt -98.71 162.67 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 64.340000000000003 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.4 p -153.04 110.97 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 75.349999999999994 110.412 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -138.57 167.0 22.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 55.439999999999998 109.291 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -71.04 -171.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 72.219999999999999 110.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' ARG . 36.1 m-20 -71.46 -55.52 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 52.210000000000001 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 m -50.62 -35.02 28.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 55.43 109.985 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.31 -32.47 26.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 110.273 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.022 HD23 HD11 ' A' ' 65' ' ' LEU . 1.3 tm? -77.91 -13.0 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 71.010000000000005 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -90.05 -19.57 24.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 71.140000000000001 110.323 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -53.34 -20.48 4.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 63.240000000000002 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.02 -43.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 71.209999999999994 109.314 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 87' ' ' LEU . 4.5 mt -80.99 160.52 24.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 62.240000000000002 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 140' ' ' ILE . 64.8 m-80 -122.79 100.71 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 61.039999999999999 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -87.36 -57.92 2.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 71.299999999999997 109.272 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.89 -82.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 70.310000000000002 111.058 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.5 t -112.72 -22.41 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 71.120000000000005 110.458 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.667 ' HZ ' HD13 ' A' ' 136' ' ' LEU . 9.8 m-85 -73.99 166.3 23.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 71.25 110.986 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -127.63 177.55 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 99' ' ' THR . 2.9 t -149.32 163.97 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.450000000000003 109.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.509 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 2.5 m -147.62 108.85 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 51.009999999999998 110.405 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.894 HD11 HG12 ' A' ' 109' ' ' VAL . 14.4 tp -95.13 121.16 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -115.73 158.54 22.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 109.994 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 106' ' ' MET . 7.0 m -127.76 135.84 50.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 73.329999999999998 110.368 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.85 166.24 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 65.200000000000003 109.324 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 34.9 ttm -58.87 -27.55 65.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.450000000000003 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.38 -17.14 58.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 70.540000000000006 110.346 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.558 ' HA ' HG22 ' A' ' 102' ' ' THR . 2.9 mtp 49.3 26.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 62.219999999999999 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.49 -13.65 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.310000000000002 109.269 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -133.96 146.65 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 53.32 109.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.894 HG12 HD11 ' A' ' 100' ' ' LEU . 2.3 t -137.63 140.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 62.329999999999998 109.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.869 ' O ' HD12 ' A' ' 100' ' ' LEU . 2.6 m-85 -126.92 145.11 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 73.200000000000003 110.972 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.724 ' CD1' HD13 ' A' ' 100' ' ' LEU . 26.9 m-85 -105.84 80.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 81.5 m-85 -68.74 116.05 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 110.977 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 137' ' ' TYR . 5.3 mt -74.24 132.79 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.409999999999997 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.96 113.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.34 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 8.7 t30 -142.3 93.84 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.340000000000003 109.309 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.42 -55.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 63.539999999999999 108.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 7.1 m-20 -88.36 56.96 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 44.119999999999997 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.565 ' CG2' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -67.46 -32.87 74.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 63.039999999999999 110.389 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.418 ' HB2' ' CB ' ' A' ' 0' ' ' SER . 1.1 t70 -78.23 -34.43 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.040000000000006 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.74 -10.56 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.420000000000002 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' ASP . 19.8 m-20 -83.67 -69.82 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 73.519999999999996 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 129' ' ' TYR . 9.8 p -95.38 -53.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.536 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 35.31 44.2 0.56 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 71.519999999999996 111.015 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 m -81.32 -78.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 73.129999999999995 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -162.85 139.31 7.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 70.109999999999999 109.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.804 HG13 HD13 ' A' ' 2' ' ' LEU . 11.9 t -62.63 -14.16 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 109.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.71 -67.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 73.200000000000003 110.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -118.09 47.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 72.510000000000005 109.602 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 3.8 t80 -75.07 -35.88 61.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 52.130000000000003 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.925 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.6 mm? -66.31 -26.8 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.288 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.518 ' HA ' HD21 ' A' ' 17' ' ' LEU . 70.1 p -83.44 -39.72 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 110.377 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.455 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -83.55 -16.16 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 71.25 110.335 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.573 ' CH2' ' CD1' ' A' ' 61' ' ' ILE . 38.0 t90 -86.15 -29.47 23.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 61.25 108.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.752 HG12 HG13 ' A' ' 14' ' ' VAL . 9.1 tp -87.39 -45.38 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 73.049999999999997 109.341 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.497 ' O ' HG22 ' A' ' 138' ' ' ILE . 48.3 t -60.73 -28.13 68.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 72.439999999999998 110.008 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.805 ' C ' HD12 ' A' ' 136' ' ' LEU . 0.6 OUTLIER -81.5 -27.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 63.530000000000001 109.314 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -94.77 -12.19 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 70.439999999999998 110.984 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.544 HG12 ' CE2' ' A' ' 145' ' ' PHE . 3.7 tp -81.35 -17.73 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 72.319999999999993 109.352 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -75.32 -10.73 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 64.219999999999999 110.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.76 HG23 ' O ' ' A' ' 92' ' ' ASN . 21.6 mt -89.49 -10.48 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 97.9 m-85 -118.28 -29.91 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.510000000000005 111.011 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.553 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.2 121.08 8.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.34 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.641 HD12 ' ND2' ' A' ' 92' ' ' ASN . 4.2 mt -98.87 2.74 46.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 72.109999999999999 109.255 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -106.63 -16.87 14.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 72.319999999999993 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -107.8 111.03 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 64.329999999999998 110.999 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.29 102.32 45.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 73.109999999999999 109.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.694 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 61.329999999999998 110.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.719 ' OG ' HG13 ' A' ' 58' ' ' VAL . 2.7 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.966 -0.383 . . . . 71.019999999999996 109.966 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt -120.9 -6.66 9.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 71.239999999999995 111.001 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 7' ' ' TYR . 1.5 tp -50.6 108.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 73.310000000000002 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.493 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 68.7 p -76.22 -166.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.209999999999994 110.385 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -76.0 -45.64 3.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 62.210000000000001 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -75.0 -8.45 20.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 74.340000000000003 110.99 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HB3' HD12 ' A' ' 2' ' ' LEU . 4.9 mm-40 -88.16 -37.85 15.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 52.509999999999998 110.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.949 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.94 -31.28 27.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 111.015 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.525 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.2 t-20 -67.28 -15.55 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 62.43 109.277 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -76.15 -36.25 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 72.230000000000004 110.259 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.92 11.25 39.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 110.304 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.688 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -60.84 -46.45 96.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 73.409999999999997 109.287 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 35.119999999999997 110.969 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 6.0 m-20 -90.46 -34.49 15.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 61.030000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.613 HG13 HG12 ' A' ' 134' ' ' ILE . 54.7 t -69.52 -50.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.737 ' HD2' HD21 ' A' ' 34' ' ' LEU . 10.0 ptm180 -66.42 -18.83 65.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 110.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -75.59 -36.34 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 73.319999999999993 109.979 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.932 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.3 pp -87.03 -32.29 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 71.010000000000005 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.932 ' N ' HD12 ' A' ' 17' ' ' LEU . 11.4 mt -59.33 -22.07 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 51.32 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 15' ' ' ARG . 59.9 p -51.56 -30.61 21.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 61.340000000000003 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.19 -33.79 76.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 43.43 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 1.135 ' CH2' HG21 ' A' ' 38' ' ' VAL . 4.3 t90 -52.19 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 107.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.14 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 73.230000000000004 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.607 ' HB2' HG13 ' A' ' 38' ' ' VAL . 2.0 mtpp -70.98 -20.65 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG23 ' CD2' ' A' ' 21' ' ' TRP . 10.5 t -75.46 125.41 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 72.549999999999997 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -104.23 -38.1 7.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.140000000000001 110.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -125.47 131.85 52.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 74.209999999999994 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.519 HD13 HD22 ' A' ' 36' ' ' LEU . 2.5 mm -114.72 103.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.140000000000001 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.12 155.38 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 110.298 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.429 ' HA ' HD23 ' A' ' 34' ' ' LEU . 8.9 t70 -116.01 156.08 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.491 HG22 ' C ' ' A' ' 33' ' ' GLY . 17.3 m -132.67 175.21 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 64.340000000000003 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 13.3 mt-30 -72.01 93.82 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 73.040000000000006 110.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 80.33 44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.450000000000003 109.335 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' C ' HG22 ' A' ' 30' ' ' VAL . . . 173.94 -171.18 44.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 62.039999999999999 111.036 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.737 HD21 ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -148.13 137.95 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 0.814 . . . . 74.420000000000002 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.439 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 1.9 tm0? -112.79 112.66 24.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 110.29 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.718 ' CD1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -116.01 145.56 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 73.400000000000006 109.311 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.818 ' CG ' HD21 ' A' ' 45' ' ' LEU . 1.1 t0 -110.64 100.54 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 74.530000000000001 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.135 HG21 ' CH2' ' A' ' 21' ' ' TRP . 23.7 t -91.11 139.46 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 60.149999999999999 109.306 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.675 ' NH1' HD13 ' A' ' 68' ' ' LEU . 4.4 tpt180 -103.09 90.72 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.109999999999999 110.362 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 46' ' ' LEU . 10.7 mp -70.76 -41.01 72.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 63.100000000000001 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -138.63 155.25 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 61.140000000000001 109.313 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 39' ' ' ARG . 1.2 m -59.65 -17.21 31.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 54.109999999999999 110.43 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 19.86 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 53.240000000000002 109.269 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 m -136.22 150.41 48.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.040000000000006 110.433 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' A' ' 37' ' ' ASP . 1.6 tm? -144.02 131.26 20.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 72.519999999999996 109.275 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.695 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.0 tm? -118.04 103.94 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' PHE . 2.0 tt0 -79.29 109.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 74.400000000000006 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 61' ' ' ILE . 1.7 tm? -94.51 119.04 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 73.230000000000004 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 7.2 m170 -119.26 108.19 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 63.210000000000001 109.603 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.427 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -88.66 129.7 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 60.219999999999999 109.267 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 9.2 p90 -146.0 159.59 43.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' A' ' 4' ' ' LEU . 2.7 t80 -103.49 149.7 24.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 53.450000000000003 110.95 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.746 ' OD1' HG23 ' A' ' 55' ' ' VAL . 65.5 t0 -121.74 132.64 54.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.519999999999996 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.458 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.4 OUTLIER -87.25 3.72 45.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 71.510000000000005 109.551 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.746 HG23 ' OD1' ' A' ' 53' ' ' ASP . 55.4 t -71.57 -47.88 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 74.239999999999995 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CD2' HG12 ' A' ' 55' ' ' VAL . 51.0 m-85 -117.22 1.02 12.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 75.329999999999998 111.023 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 62.44 51.57 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 72.349999999999994 109.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.719 HG13 ' OG ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -152.64 167.58 13.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 64.150000000000006 109.342 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 133' ' ' TRP . 18.3 Cg_endo -75.03 170.26 20.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 75.340000000000003 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.528 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 16.6 t -148.5 171.33 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.975 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.715 HG23 HD21 ' A' ' 48' ' ' LEU . 33.2 mt -132.47 136.23 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 71.129999999999995 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 112' ' ' TYR . 21.8 tttt -149.03 131.51 15.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 65.010000000000005 109.247 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.851 ' CE2' HD11 ' A' ' 113' ' ' ILE . 9.9 p90 -152.56 159.5 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 111.021 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 1.012 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -130.98 117.64 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 72.129999999999995 110.335 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.109 HD11 HD13 ' A' ' 87' ' ' LEU . 12.4 mt -58.21 145.28 37.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 65.319999999999993 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.727 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 95.6 m95 -131.83 151.0 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 75.430000000000007 108.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.757 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -124.82 97.76 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 44.109999999999999 109.99 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.675 HD13 ' NH1' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -67.19 126.24 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 109.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -119.21 112.38 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.61 36.52 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.109999999999999 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -38.02 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.636 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.0 mt-10 -108.09 -2.58 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 110.264 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 65.43 49.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.279 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.77 -8.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 65.010000000000005 109.297 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.1 t 79.83 45.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.400000000000006 109.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.752 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -83.13 177.01 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 71.129999999999995 109.959 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.49 165.95 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 43.140000000000001 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' LEU . 1.1 tpp85 -155.41 140.63 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.25 110.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.012 HD11 ' HB3' ' A' ' 64' ' ' ARG . 13.6 tp -57.34 129.99 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 70.420000000000002 109.289 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 67' ' ' SER . 34.1 mt -93.17 162.5 13.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 64.409999999999997 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 80' ' ' LEU . 6.6 p -154.76 109.32 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 110.391 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -139.54 166.92 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 50.229999999999997 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 m -62.35 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 61.240000000000002 109.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -47.0 20.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 60.399999999999999 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.89 -34.61 74.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 33.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' A' ' 82' ' ' LEU . 12.8 mt-10 -74.45 -33.13 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 63.210000000000001 110.276 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.109 HD13 HD11 ' A' ' 65' ' ' LEU . 3.9 tp -76.99 -30.61 56.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 75.510000000000005 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -17.52 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 74.109999999999999 110.298 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -53.14 -21.06 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.451 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -122.29 -43.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 64.329999999999998 109.253 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.33 160.39 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 74.140000000000001 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.775 ' ND2' HD12 ' A' ' 143' ' ' LEU . 66.4 m-80 -118.36 88.67 2.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 61.32 109.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.623 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -82.4 -56.97 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 63.149999999999999 109.297 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.07 -94.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 111.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -93.83 -24.51 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 65.140000000000001 110.415 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.47 -174.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.349999999999994 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 m -157.6 154.04 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 43.509999999999998 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.66 154.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 75.120000000000005 109.323 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -135.23 109.78 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.219999999999999 110.382 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.079 HD11 HG12 ' A' ' 109' ' ' VAL . 31.5 tp -70.42 136.53 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 75.200000000000003 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 110' ' ' TYR . 2.0 t -147.04 158.02 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 74.219999999999999 109.999 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.901 ' CG2' HG13 ' A' ' 109' ' ' VAL . 3.1 p -124.04 167.3 14.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 72.129999999999995 110.432 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.53 170.75 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 72.319999999999993 109.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.425 ' CG ' ' N ' ' A' ' 105' ' ' GLU . 25.0 ptt? -48.85 -43.31 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 62.219999999999999 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -63.07 -28.62 70.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 70.010000000000005 110.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.6 ttm 62.09 18.28 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 74.430000000000007 110.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 -14.01 17.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.200000000000003 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -127.78 115.61 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 61.329999999999998 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.079 HG12 HD11 ' A' ' 100' ' ' LEU . 2.4 t -104.46 138.89 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.5 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.729 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -139.57 158.86 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 111.007 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.753 ' CD1' HD13 ' A' ' 100' ' ' LEU . 72.4 m-85 -109.56 118.53 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 74.510000000000005 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 62' ' ' LYS . 21.0 m-85 -97.56 117.94 32.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 73.530000000000001 111.018 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.851 HD11 ' CE2' ' A' ' 63' ' ' PHE . 34.8 mm -61.92 144.35 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 70.400000000000006 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.623 ' N ' HD22 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -77.28 89.29 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 73.409999999999997 109.31 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 11.5 p-10 -113.31 75.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.340000000000003 109.23 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 2.0 p -117.35 -42.57 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.450000000000003 108.318 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ASN . 54.4 m-20 -92.85 25.53 3.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 109.286 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -54.72 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 63.119999999999997 110.404 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.502 ' CG ' ' H1 ' ' A' ' 0' ' ' SER . 32.7 t70 -62.06 -25.69 67.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 109.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.39 -12.2 46.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 109.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 117' ' ' ASP . 31.0 m120 -90.21 -69.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 72.150000000000006 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.889 ' CG2' HD22 ' A' ' 136' ' ' LEU . 13.5 t -82.97 -64.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 55.310000000000002 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.39 26.53 7.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 71.420000000000002 111.009 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 t -64.78 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 54.25 109.994 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -166.11 133.56 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 65.239999999999995 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.614 HG23 ' CD1' ' A' ' 2' ' ' LEU . 1.3 p -54.5 -20.23 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 62.329999999999998 109.312 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -45.5 -67.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 70.219999999999999 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.71 46.9 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.239999999999995 109.642 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 11.7 t80 -74.99 -32.7 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 71.099999999999994 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.758 ' O ' HG22 ' A' ' 134' ' ' ILE . 3.5 mm? -54.6 -28.25 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 72.450000000000003 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.443 ' HA ' HG22 ' A' ' 134' ' ' ILE . 45.7 p -88.56 -51.97 5.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 62.130000000000003 110.394 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 12.6 tpt180 -64.34 -15.21 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.200000000000003 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.528 ' CD2' ' HG2' ' A' ' 59' ' ' PRO . 47.2 t90 -89.69 -62.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.984 -1.117 . . . . 72.239999999999995 107.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.758 HG22 ' O ' ' A' ' 130' ' ' LEU . 6.4 tp -50.59 -56.11 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 72.329999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.589 ' O ' HG22 ' A' ' 138' ' ' ILE . 28.7 t -54.59 -16.35 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 63.119999999999997 110.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.889 HD22 ' CG2' ' A' ' 122' ' ' VAL . 1.4 tp -77.15 -56.55 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 52.149999999999999 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.608 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 81.3 m-85 -76.21 -14.78 60.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 70.400000000000006 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 135' ' ' SER . 2.0 tp -60.5 -31.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -69.51 -6.48 30.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 70.239999999999995 110.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 92' ' ' ASN . 19.8 mt -92.89 -10.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.461 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 96.1 m-85 -115.54 -37.23 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 72.5 111.035 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.429 ' OD2' ' CB ' ' A' ' 145' ' ' PHE . 56.0 t0 -148.29 117.85 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 72.230000000000004 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.775 HD12 ' ND2' ' A' ' 92' ' ' ASN . 1.4 mt -92.09 2.67 56.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 60.140000000000001 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.79 -15.64 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 55.539999999999999 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 147' ' ' PRO . 1.4 t80 -107.75 108.45 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 111.003 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.25 97.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.658 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 73.129999999999995 110.972 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.017 -0.364 . . . . 74.400000000000006 110.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt -129.98 3.93 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 71.540000000000006 111.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.753 HD13 HG13 ' A' ' 126' ' ' VAL . 12.1 tp -55.64 106.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 64.230000000000004 109.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 69.7 p -74.89 -168.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.406 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -76.0 -45.84 3.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 52.340000000000003 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.99 -8.39 20.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 71.019999999999996 111.027 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.616 ' HB3' HD12 ' A' ' 2' ' ' LEU . 14.4 mm-40 -88.41 -37.13 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.219999999999999 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.773 ' HD1' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -87.42 -33.0 19.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 74.340000000000003 111.009 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.598 ' OD1' ' CE2' ' A' ' 7' ' ' TYR . 5.4 m-20 -71.21 -15.43 62.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 72.430000000000007 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.41 -23.61 61.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 110.349 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 20.6 mt-30 -112.57 18.02 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 70.129999999999995 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -59.96 -44.53 97.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 73.109999999999999 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 2.3 m-20 -94.05 -33.76 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 73.319999999999993 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.95 HG13 HG12 ' A' ' 134' ' ' ILE . 37.2 t -74.44 -53.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 61.229999999999997 109.305 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.714 ' O ' HG23 ' A' ' 19' ' ' THR . 7.7 ptm180 -64.1 -18.73 64.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 70.340000000000003 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -74.19 -40.96 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 72.109999999999999 109.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.956 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.4 pp -82.6 -33.19 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.956 ' N ' HD12 ' A' ' 17' ' ' LEU . 13.2 mt -54.7 -33.05 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 15' ' ' ARG . 63.1 p -48.14 -23.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 72.430000000000007 110.416 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 63.9 mmtt -70.36 -40.71 73.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 74.5 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.988 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 2.6 t90 -49.33 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 65.510000000000005 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . -65.11 -13.79 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 75.140000000000001 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 1.2 mtpp -77.82 -26.14 49.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 64.439999999999998 109.33 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 21' ' ' TRP . 25.1 t -66.93 124.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 64.010000000000005 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -109.14 -26.22 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 64.319999999999993 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -126.49 150.4 48.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 74.109999999999999 110.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 HD23 ' A' ' 36' ' ' LEU . 1.7 mm -137.51 114.36 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.298 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.958 ' O ' HD23 ' A' ' 34' ' ' LEU . 14.9 tt0 -142.23 150.92 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.530000000000001 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.29 154.14 28.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 63.350000000000001 109.26 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -134.24 162.59 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.3 tt0 -57.28 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 110.268 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER 76.35 57.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 71.439999999999998 109.297 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.36 -165.63 37.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 70.140000000000001 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -159.57 148.13 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 72.519999999999996 109.294 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.468 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 1.7 tm0? -131.02 111.32 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.430000000000007 110.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.16 168.83 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' CG ' ' OE1' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -124.37 95.39 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 72.519999999999996 109.329 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.808 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 3.3 t -86.77 129.86 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.44 78.68 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 64.420000000000002 110.306 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.063 HD13 HD12 ' A' ' 90' ' ' ILE . 13.2 mt -56.31 -38.83 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 74.420000000000002 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -142.31 158.54 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 65.049999999999997 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -60.41 -14.56 19.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 65.310000000000002 110.349 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.15 21.92 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 109.318 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 66' ' ' TRP . 28.0 m -135.47 152.5 51.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 61.32 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.873 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -134.46 142.93 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.450000000000003 109.242 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.873 ' H ' HD22 ' A' ' 45' ' ' LEU . 1.1 tm? -123.02 104.71 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 1.2 tp10 -86.11 91.17 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 71.019999999999996 110.253 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 HG23 ' A' ' 61' ' ' ILE . 2.9 tm? -80.73 119.74 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 71.239999999999995 109.281 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.413 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 5.1 m170 -117.04 117.67 30.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 109.606 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 3.4 tt -97.11 126.58 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 72.400000000000006 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CE2' ' OG ' ' A' ' 60' ' ' SER . 18.1 p90 -145.36 154.77 42.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 70.129999999999995 110.958 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' CG ' HD22 ' A' ' 4' ' ' LEU . 52.9 t80 -95.35 158.14 15.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 64.439999999999998 110.97 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' OD1' HG23 ' A' ' 55' ' ' VAL . 37.2 t0 -137.23 112.36 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.030000000000001 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 4.2 m-70 -71.63 -7.03 45.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 109.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 56' ' ' TYR . 54.0 t -58.79 -44.48 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 72.430000000000007 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.62 ' CD1' HG12 ' A' ' 55' ' ' VAL . 25.2 m-85 -121.63 -0.76 9.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 75.120000000000005 110.97 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.657 ' O ' HG13 ' A' ' 58' ' ' VAL . 29.3 m-70 62.86 60.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 75.0 109.621 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -163.71 164.41 15.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 109.326 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.93 161.26 39.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 71.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.592 ' OG ' ' CE2' ' A' ' 51' ' ' TYR . 3.5 p -141.42 170.87 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 71.540000000000006 110.003 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.863 HD12 ' CD2' ' A' ' 137' ' ' TYR . 12.8 mt -131.41 146.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 72.140000000000001 109.31 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 12.6 ttpt -155.54 117.15 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.631 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 39.7 p90 -136.28 163.11 31.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 64.239999999999995 110.944 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.858 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.5 mtm180 -138.1 122.14 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.898 ' O ' HD12 ' A' ' 79' ' ' LEU . 47.4 mt -61.41 138.11 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 75.349999999999994 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.9 m95 -131.04 155.51 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.97 -1.122 . . . . 63.420000000000002 107.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.812 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -127.64 97.83 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 52.140000000000001 109.993 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.76 124.48 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 72.109999999999999 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -121.72 112.84 18.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 64.450000000000003 109.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.55 30.01 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 63.520000000000003 110.43 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -42.54 -42.82 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.230000000000004 110.326 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.0 mt-10 -104.33 -14.65 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 110.31 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER 81.86 50.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 109.337 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.02 -0.3 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.400000000000006 109.319 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 t 69.17 45.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 60.530000000000001 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.799 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.99 175.74 9.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 72.200000000000003 110.004 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD12 ' C ' ' A' ' 77' ' ' LEU . 2.8 pp -167.48 161.62 13.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 52.299999999999997 109.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -155.33 133.08 11.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.120000000000005 110.285 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.898 HD12 ' O ' ' A' ' 65' ' ' LEU . 14.1 tp -52.3 138.59 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 75.409999999999997 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 67' ' ' SER . 64.2 mt -105.03 141.2 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 73.400000000000006 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -132.57 90.92 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 44.229999999999997 110.391 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -117.19 167.18 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.313 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -56.7 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 71.040000000000006 109.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.33 -38.88 23.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 65.340000000000003 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.27 -38.12 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.66 -38.29 80.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 73.010000000000005 110.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -68.79 -47.33 66.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.349999999999994 109.341 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.605 ' N ' HD23 ' A' ' 87' ' ' LEU . 1.5 tpt180 -49.27 -22.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 75.439999999999998 110.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.57 -34.81 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 64.409999999999997 110.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.063 HD12 HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -108.77 -42.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 50.25 109.306 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mt -76.66 -178.41 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 41.32 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.636 ' CG ' HD12 ' A' ' 143' ' ' LEU . 54.4 m-80 -154.1 102.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.626 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -88.99 -58.75 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 109.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 56.03 -84.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 64.019999999999996 111.053 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.3 t -115.1 19.39 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 73.230000000000004 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 140' ' ' ILE . 14.8 m-85 -113.52 -172.03 2.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.099999999999994 110.982 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -148.29 169.85 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.030000000000001 109.977 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 99' ' ' THR . 14.5 p -152.83 170.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 63.43 109.3 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.523 ' N ' HG22 ' A' ' 98' ' ' VAL . 3.3 m -141.04 117.85 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.200000000000003 110.408 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.003 HD12 ' O ' ' A' ' 110' ' ' TYR . 36.4 tp -110.73 122.49 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.539999999999999 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 t -132.9 161.76 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.409999999999997 109.955 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.039 HG22 HG22 ' A' ' 109' ' ' VAL . 2.1 p -128.83 166.87 18.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 53.240000000000002 110.374 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 171.28 9.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 61.109999999999999 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.3 ttp -58.51 -32.24 68.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 64.200000000000003 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -77.07 -10.92 59.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 75.129999999999995 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.8 mtm 53.04 27.13 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 72.219999999999999 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.03 -29.2 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 74.299999999999997 109.269 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -106.79 139.42 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.010000000000005 110.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 102' ' ' THR . 14.3 t -142.43 143.36 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 43.240000000000002 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 1.003 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.1 m-85 -136.31 154.49 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 65.299999999999997 110.97 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.783 ' CD1' HD13 ' A' ' 100' ' ' LEU . 12.9 m-85 -115.65 77.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 73.019999999999996 111.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 98.1 m-85 -67.57 110.28 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 64.140000000000001 111.018 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.8 mt -74.42 138.65 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.15 112.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.291 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 60' ' ' SER . 3.9 p-10 -133.78 21.33 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 64.530000000000001 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.37 -46.3 49.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 108.311 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.968 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 9.4 m-20 -96.03 54.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 73.409999999999997 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.41 HG21 ' HD2' ' A' ' 59' ' ' PRO . 81.9 m -58.46 -50.18 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 110.418 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -62.5 -28.71 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 75.329999999999998 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.968 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -86.8 -15.38 39.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 117' ' ' ASP . 20.2 m-20 -83.57 -54.26 5.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 123' ' ' GLY . 9.2 p -121.77 -54.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 52.119999999999997 109.341 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 37.72 35.4 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 52.299999999999997 110.939 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 t -68.42 -81.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 72.450000000000003 110.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.92 143.34 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 54.439999999999998 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.753 HG13 HD13 ' A' ' 2' ' ' LEU . 58.8 t -63.78 -13.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 12.2 mt-10 -65.45 -67.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.239999999999995 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 46.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.030000000000001 109.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -79.28 -38.27 35.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 75.030000000000001 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.79 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.3 mm? -71.77 -21.52 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 p -87.0 -45.18 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 51.439999999999998 110.414 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.5 tpt180 -73.7 -50.99 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.019999999999996 110.256 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.663 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 77.5 t90 -47.49 -57.39 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 72.230000000000004 107.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.95 HG12 HG13 ' A' ' 14' ' ' VAL . 7.6 tp -60.7 -53.95 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.219999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 134' ' ' ILE . 35.7 t -54.94 -15.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -90.93 -74.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 70.129999999999995 109.259 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.863 ' CD2' HD12 ' A' ' 61' ' ' ILE . 28.3 m-85 -47.87 -41.31 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.988 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 8.7 tp -50.11 -37.11 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -59.09 -32.17 69.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 64.25 110.324 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 92' ' ' ASN . 59.7 mt -66.22 -10.05 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 64.140000000000001 109.263 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.7 m-85 -112.57 -38.72 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 111.023 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 9.8 t70 -147.76 107.68 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 72.019999999999996 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.636 HD12 ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -83.92 3.32 34.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.98 -9.84 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 73.209999999999994 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.81 104.65 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 53.299999999999997 110.975 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.67 103.61 53.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 51.240000000000002 109.267 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.567 ' HB2' HD22 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 55.549999999999997 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.608 ' HB2' HG13 ' A' ' 58' ' ' VAL . 11.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.04 -0.356 . . . . 74.209999999999994 110.04 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt -114.7 -18.44 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 73.230000000000004 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.745 ' HB2' HG22 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -50.57 113.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 71.040000000000006 109.338 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.518 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 27.4 p -71.87 -162.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 51.200000000000003 110.372 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.854 HD23 ' CD2' ' A' ' 52' ' ' TYR . 1.6 tm? -75.92 -45.07 3.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.0 -6.68 18.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 52.119999999999997 110.978 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' N ' ' A' ' 3' ' ' THR . 30.1 mt-10 -89.12 -38.71 14.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.25 110.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.919 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -78.53 -32.09 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.010000000000005 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.485 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -68.71 -20.57 64.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 73.140000000000001 109.318 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.53 -25.88 65.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 74.530000000000001 110.287 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' NE2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -117.25 22.22 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.329999999999998 110.266 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.919 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -67.33 -45.89 49.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.020000000000003 109.249 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.2 Cg_endo -75.02 0.17 9.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 63.210000000000001 110.996 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -89.1 -31.66 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 64.200000000000003 109.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.755 ' CG1' HD13 ' A' ' 134' ' ' ILE . 36.3 t -78.25 -52.06 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.340000000000003 109.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 19' ' ' THR . 17.1 ptt85 -63.31 -18.16 63.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -77.58 -41.13 39.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 32.399999999999999 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.963 HD13 ' HB3' ' A' ' 147' ' ' PRO . 2.0 pp -83.45 -25.42 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.519999999999996 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.684 HD21 HD11 ' A' ' 134' ' ' ILE . 12.8 mt -63.52 -24.45 67.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 15' ' ' ARG . 79.8 p -53.75 -25.1 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 53.350000000000001 110.407 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.86 -33.36 75.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 62.25 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.682 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.1 t90 -54.19 125.06 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 108.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.21 -12.47 30.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 64.430000000000007 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HB2' HG13 ' A' ' 38' ' ' VAL . 17.9 mtpt -80.0 -26.35 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 61.329999999999998 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 38' ' ' VAL . 49.0 t -68.71 126.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.019999999999996 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' CD ' ' CG ' ' A' ' 39' ' ' ARG . 3.4 mt-10 -107.54 -34.87 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 63.439999999999998 110.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -124.88 133.58 53.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 110.352 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.4 HG12 ' CG1' ' A' ' 24' ' ' VAL . 2.0 mm -120.83 105.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 63.149999999999999 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' O ' HD23 ' A' ' 34' ' ' LEU . 19.1 tt0 -133.38 145.27 50.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 72.319999999999993 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.44 157.88 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.310000000000002 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.4 m -134.41 160.05 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 64.510000000000005 109.242 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 3.7 tt0 -57.54 90.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 52.399999999999999 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER 81.35 55.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 164.36 -169.92 39.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.981 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -157.56 139.75 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 63.009999999999998 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -121.81 113.01 19.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 73.319999999999993 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.804 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.32 147.92 43.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 109.292 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -108.75 95.12 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 74.049999999999997 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 24' ' ' VAL . 4.1 t -88.74 127.97 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 64.340000000000003 109.35 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.808 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -90.03 79.79 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.219999999999999 110.256 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.859 HD13 ' CB ' ' A' ' 46' ' ' LEU . 6.1 mp -58.39 -32.12 68.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.439999999999998 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 17.4 ttmt -149.62 154.73 39.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 63.329999999999998 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -59.61 -15.02 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.340000000000003 110.38 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -128.33 15.24 6.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.289 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.583 HG23 HD12 ' A' ' 80' ' ' LEU . 8.0 m -135.9 137.37 41.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.439999999999998 110.41 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.997 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -129.86 133.06 46.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 63.509999999999998 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.997 ' N ' HD12 ' A' ' 45' ' ' LEU . 2.7 tm? -110.97 108.83 18.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 61.200000000000003 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.8 tt0 -87.29 96.3 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 64.230000000000004 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.904 HD12 ' CE2' ' A' ' 141' ' ' PHE . 2.4 tt -88.98 131.03 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.555 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -133.32 111.81 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.030000000000001 109.623 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.1 tt -85.77 130.17 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 72.209999999999994 109.3 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 2.4 p90 -144.42 128.94 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 64.200000000000003 110.96 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.854 ' CD2' HD23 ' A' ' 4' ' ' LEU . 84.1 t80 -71.57 150.65 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 74.310000000000002 111.029 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.845 ' OD1' HG23 ' A' ' 55' ' ' VAL . 42.0 t0 -127.86 126.64 41.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 42.450000000000003 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -81.65 3.66 24.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 75.519999999999996 109.622 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.845 HG23 ' OD1' ' A' ' 53' ' ' ASP . 77.3 t -67.23 -47.56 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.040000000000006 109.298 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.613 ' CD1' HG12 ' A' ' 55' ' ' VAL . 42.2 m-85 -122.77 2.76 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.239999999999995 110.976 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 64.82 47.49 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 74.319999999999993 109.636 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 0' ' ' SER . 0.0 OUTLIER -148.2 164.06 23.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.335 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 52' ' ' TYR . 18.2 Cg_endo -74.95 149.95 37.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 52.299999999999997 110.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 2.1 m -114.97 172.68 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 53.399999999999999 109.956 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 137' ' ' TYR . 9.5 mt -137.75 127.31 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 42.200000000000003 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.07 118.83 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.450000000000003 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.804 ' CD1' HD21 ' A' ' 46' ' ' LEU . 28.9 p90 -129.77 162.74 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.955 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.837 ' HB3' HD11 ' A' ' 79' ' ' LEU . 7.4 mtp180 -139.88 121.89 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 110.312 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 79' ' ' LEU . 66.8 mt -69.2 138.85 54.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 72.230000000000004 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' THR . 94.4 m95 -127.62 162.87 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 74.040000000000006 108.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -133.63 97.74 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 62.210000000000001 109.957 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.6 125.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 72.420000000000002 109.265 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -122.63 113.09 18.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 72.430000000000007 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.32 29.55 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -42.82 -43.18 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.2 mt-10 -103.43 -14.84 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.312 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.48 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 44.130000000000003 109.279 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.67 2.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 74.010000000000005 109.284 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t 67.46 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 75.400000000000006 109.971 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.764 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.68 175.28 10.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 64.510000000000005 109.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.2 pp -166.88 164.28 16.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.118 . . . . 75.519999999999996 109.294 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' SER . 1.6 tpm_? -155.36 140.59 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 75.319999999999993 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.837 HD11 ' HB3' ' A' ' 64' ' ' ARG . 14.4 tp -58.21 138.55 56.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 61.310000000000002 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 67' ' ' SER . 61.4 mt -104.88 154.77 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 62.299999999999997 109.269 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -149.33 119.92 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 72.450000000000003 110.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -143.86 165.04 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 74.519999999999996 109.314 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -57.24 -171.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.955 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -47.39 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 65.409999999999997 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -66.28 -34.28 77.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 73.450000000000003 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.97 -35.14 74.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 62.130000000000003 110.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.049 HD21 HD12 ' A' ' 91' ' ' LEU . 1.3 tt -73.64 -51.91 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.030000000000001 109.245 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.557 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.71 -24.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.150000000000006 110.328 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 t -45.28 -25.85 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 62.219999999999999 110.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.474 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -117.1 -42.79 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 72.230000000000004 109.327 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.049 HD12 HD21 ' A' ' 87' ' ' LEU . 28.9 mt -75.23 178.88 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' CG ' HD12 ' A' ' 143' ' ' LEU . 70.7 m-80 -140.58 95.66 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.310000000000002 109.32 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.632 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.61 -58.07 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.519999999999996 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.88 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 71.219999999999999 111.035 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LEU . 3.5 t -113.25 -21.04 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 64.430000000000007 110.363 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.436 ' CG ' HD11 ' A' ' 140' ' ' ILE . 6.1 m-85 -62.11 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 63.530000000000001 111.007 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.16 168.99 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.25 110.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG22 ' H ' ' A' ' 99' ' ' THR . 11.5 p -153.41 171.42 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 75.129999999999995 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.532 ' H ' HG22 ' A' ' 98' ' ' VAL . 2.8 m -146.38 110.3 4.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 34.039999999999999 110.375 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.988 HD12 ' O ' ' A' ' 110' ' ' TYR . 19.1 tp -98.67 122.75 42.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 61.25 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 t -115.5 132.58 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 72.109999999999999 109.991 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.976 HG23 HG22 ' A' ' 109' ' ' VAL . 2.7 m -116.29 152.69 33.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 110.456 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.8 166.16 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 75.25 109.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.61 -13.51 22.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 62.240000000000002 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -92.9 -15.86 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 72.510000000000005 110.342 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.494 ' HA ' HG22 ' A' ' 102' ' ' THR . 7.7 mtt 56.99 22.35 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 64.549999999999997 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -38.96 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 70.299999999999997 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.2 p -106.34 127.7 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.450000000000003 109.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.976 HG22 HG23 ' A' ' 102' ' ' THR . 2.3 t -144.12 141.58 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 74.549999999999997 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.988 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -132.66 151.55 51.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 110.991 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.958 ' CD1' HD13 ' A' ' 100' ' ' LEU . 51.6 m-85 -108.4 79.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.140000000000001 110.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 96.1 m-85 -68.96 114.78 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 71.340000000000003 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 61' ' ' ILE . 6.0 mt -77.69 140.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -60.36 114.17 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 109.249 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 4.5 p-10 -145.82 28.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 16.8 p -76.18 -46.48 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.400000000000006 108.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' ALA . 4.9 m-20 -96.99 42.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 74.219999999999999 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.473 ' HB ' HG21 ' A' ' 58' ' ' VAL . 30.6 m -45.5 -25.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 110.373 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.421 ' HB3' ' N ' ' A' ' 0' ' ' SER . 5.0 p-10 -68.93 -43.54 74.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 41.350000000000001 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' ASP . . . -81.68 -10.82 59.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 62.409999999999997 109.334 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.75 ' HB3' HD11 ' A' ' 136' ' ' LEU . 0.9 OUTLIER -74.5 -69.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 64.439999999999998 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.938 ' HB ' HD13 ' A' ' 136' ' ' LEU . 4.8 p -103.65 -50.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 72.5 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.473 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 36.97 48.43 1.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 44.140000000000001 111.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.4 ' CB ' ' HG2' ' A' ' 132' ' ' ARG . 7.6 p -91.86 -75.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 73.420000000000002 109.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -151.78 124.88 8.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 74.540000000000006 109.283 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.745 HG22 ' HB2' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -53.69 -28.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 72.530000000000001 109.296 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -68.41 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 71.299999999999997 110.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -95.22 46.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.626 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.575 ' CE1' HG13 ' A' ' 122' ' ' VAL . 2.0 t80 -84.33 -33.66 23.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 73.120000000000005 110.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.678 ' O ' HG22 ' A' ' 134' ' ' ILE . 4.3 mm? -67.06 -28.22 68.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 65.150000000000006 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p -86.55 -34.92 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.240000000000002 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' CB ' ' A' ' 124' ' ' SER . 9.9 tpt180 -85.35 -16.45 39.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 78.6 t90 -87.18 -47.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.013 -1.106 . . . . 53.329999999999998 108.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.962 HG21 HD21 ' A' ' 17' ' ' LEU . 5.8 tp -56.54 -47.9 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.319999999999993 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.537 ' HA ' HG22 ' A' ' 138' ' ' ILE . 3.5 t -73.12 -0.34 13.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.349999999999994 109.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.938 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.99 -41.32 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 74.439999999999998 109.276 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.777 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -94.0 -47.39 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 64.310000000000002 111.025 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.682 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 6.9 tp -44.5 -26.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 64.040000000000006 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.422 ' N ' ' C ' ' A' ' 137' ' ' TYR . 47.0 mtp180 -64.28 -43.54 94.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 75.200000000000003 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 137' ' ' TYR . 73.9 mt -57.47 -15.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.209999999999994 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.904 ' CE2' HD12 ' A' ' 48' ' ' LEU . 5.2 m-85 -106.32 -34.84 7.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 63.109999999999999 110.963 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -148.48 108.69 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 73.239999999999995 109.325 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.458 HD12 ' CG ' ' A' ' 92' ' ' ASN . 6.6 mt -87.9 3.64 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -108.5 -16.17 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 73.200000000000003 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.495 ' HZ ' HD12 ' A' ' 17' ' ' LEU . 70.1 t80 -79.13 110.31 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.25 110.982 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.54 116.31 57.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.439999999999998 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.963 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 73.010000000000005 111.016 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.992 -0.373 . . . . 64.340000000000003 109.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 46.71 23.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 63.310000000000002 110.995 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.717 HD21 ' HB2' ' A' ' 7' ' ' TYR . 17.0 tp -68.7 114.69 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.492 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 66.0 p -79.79 -172.83 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 53.420000000000002 110.42 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -76.46 -45.43 3.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 109.299 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.07 -8.43 19.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 60.030000000000001 110.947 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB3' HD12 ' A' ' 2' ' ' LEU . 11.2 mm-40 -88.28 -39.35 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 75.439999999999998 110.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.931 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.15 -35.02 20.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 70.150000000000006 110.956 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 17.4 t-20 -64.39 -17.82 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 73.540000000000006 109.319 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -74.16 -27.17 60.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 63.329999999999998 110.334 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.1 mt-30 -109.39 12.45 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 74.439999999999998 110.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.931 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.8 OUTLIER -60.56 -46.62 97.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 109.358 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.512 1.796 . . . . 74.549999999999997 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 4.7 m-20 -93.23 -34.29 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 72.319999999999993 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.984 ' O ' HD23 ' A' ' 18' ' ' LEU . 90.7 t -75.71 -39.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 60.240000000000002 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' THR . 40.9 ptt85 -73.82 -19.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -73.14 -46.39 51.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 73.510000000000005 110.015 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 HD22 ' A' ' 18' ' ' LEU . 4.6 pp -74.24 -26.76 60.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 74.430000000000007 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.984 HD23 ' O ' ' A' ' 14' ' ' VAL . 1.7 mm? -58.67 -31.15 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 109.347 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 15' ' ' ARG . 27.2 p -61.62 -13.42 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 63.030000000000001 110.381 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -82.82 -23.58 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 72.420000000000002 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.73 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.9 t90 -61.18 128.31 35.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 108.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.41 -15.67 37.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 70.230000000000004 109.305 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.628 ' NZ ' HD22 ' A' ' 40' ' ' LEU . 1.4 mtpm? -85.2 -26.2 26.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.558 HG23 ' CE3' ' A' ' 21' ' ' TRP . 35.5 t -69.11 113.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 64.010000000000005 109.328 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.24 -40.43 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 27' ' ' ILE . 22.3 ttt85 -124.96 156.57 37.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.916 ' CD1' HD23 ' A' ' 36' ' ' LEU . 2.2 mm -141.17 109.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 64.239999999999995 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ASP . 12.4 tt0 -127.69 161.48 28.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 72.019999999999996 110.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 4.5 p30 -118.2 161.96 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 73.340000000000003 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.5 m -139.46 179.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 71.099999999999994 109.267 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 6.7 tt0 -76.38 93.69 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.120000000000005 110.291 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' OD2' HD21 ' A' ' 4' ' ' LEU . 2.0 t70 80.6 45.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.473 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 170.26 -171.83 43.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 70.540000000000006 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.564 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -149.87 149.99 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 74.319999999999993 109.313 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' C ' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tm0? -126.4 116.37 21.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 110.256 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.956 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -121.29 146.67 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 72.109999999999999 109.286 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.89 95.22 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.314 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.894 HG12 ' CD2' ' A' ' 40' ' ' LEU . 96.0 t -82.78 106.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 73.510000000000005 110.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.894 ' CD2' HG12 ' A' ' 38' ' ' VAL . 1.2 mm? -57.69 -28.45 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.019999999999996 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 4.7 ttmm -153.09 163.75 39.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.420000000000002 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -63.05 -12.12 24.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 110.378 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.7 10.54 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 74.510000000000005 109.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.433 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 36.2 m -123.48 126.67 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 110.402 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.889 HD11 ' HG3' ' A' ' 47' ' ' GLU . 1.5 tm? -112.83 134.47 54.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.591 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -125.75 106.09 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 73.400000000000006 109.306 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.889 ' HG3' HD11 ' A' ' 45' ' ' LEU . 21.6 mt-10 -81.89 112.43 19.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 62.119999999999997 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.807 HD21 HG23 ' A' ' 61' ' ' ILE . 1.9 tm? -96.58 122.23 39.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 75.209999999999994 109.256 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 62' ' ' LYS . 11.2 m170 -110.83 137.37 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 73.420000000000002 109.611 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -122.98 122.24 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 63.439999999999998 109.252 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 60' ' ' SER . 2.5 p90 -142.12 174.01 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -104.84 146.64 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 75.230000000000004 111.034 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -115.38 111.77 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.284 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -81.02 3.54 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 109.618 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 56' ' ' TYR . 13.1 m -81.88 -37.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 74.420000000000002 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.616 ' CD2' HG23 ' A' ' 55' ' ' VAL . 36.4 m-85 -122.61 -1.91 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.040000000000006 111.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.7 m-70 63.12 50.69 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.537 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -153.46 163.58 23.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 73.349999999999994 109.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.563 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -74.98 160.48 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 65.329999999999998 111.06 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 33.5 t -136.82 169.24 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.239999999999995 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.807 HG23 HD21 ' A' ' 48' ' ' LEU . 10.9 mt -137.61 131.23 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 109.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.49 ' HZ2' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -144.01 134.53 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.322 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 17.3 p90 -148.57 159.98 43.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 71.340000000000003 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.789 ' CB ' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -131.87 113.17 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.420000000000002 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.558 HD23 ' HG ' ' A' ' 46' ' ' LEU . 66.7 mt -53.42 141.1 25.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 53.020000000000003 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.84 ' CZ2' HD12 ' A' ' 79' ' ' LEU . 96.3 m95 -124.12 160.82 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.329999999999998 108.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.879 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.86 97.7 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 72.120000000000005 109.961 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.47 125.44 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.278 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -122.51 112.62 18.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.49 34.57 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 64.200000000000003 110.384 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.79 -44.83 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 75.310000000000002 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 74' ' ' ILE . 3.6 mt-10 -103.56 -12.15 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 61.399999999999999 110.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.6 t70 81.28 51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 109.346 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 1.32 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 64.040000000000006 109.335 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 t 66.7 47.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 55.310000000000002 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.792 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -87.18 175.45 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 53.409999999999997 109.992 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.511 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.5 pp -167.57 166.08 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.109999999999999 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -155.38 139.61 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 71.409999999999997 110.365 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.84 HD12 ' CZ2' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -64.67 131.14 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 45.43 109.344 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.879 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.0 mt -98.99 156.04 17.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 109.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.685 HG21 HG21 ' A' ' 109' ' ' VAL . 1.6 p -141.8 98.32 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 110.435 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -129.53 167.71 17.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 72.230000000000004 109.308 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -72.68 -168.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 75.019999999999996 110.008 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' LEU . 8.5 m-20 -72.29 -54.83 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.297 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 m -38.76 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 74.25 110.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.824 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.3 mt-10 -89.38 -44.19 10.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 65.109999999999999 110.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' ASP . 7.7 tt -58.38 -56.25 24.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 71.030000000000001 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -55.17 -17.8 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 50.130000000000003 110.311 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.758 ' HB3' HD13 ' A' ' 90' ' ' ILE . 3.3 t -57.51 -28.03 63.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 42.409999999999997 109.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.758 HD13 ' HB3' ' A' ' 89' ' ' SER . 0.0 OUTLIER -120.2 -40.14 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.334 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 5.4 mt -83.71 160.75 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.230000000000004 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 140' ' ' ILE . 64.8 m-80 -117.54 99.12 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 65.540000000000006 109.363 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -88.6 -57.76 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 74.519999999999996 109.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.73 -93.72 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 64.409999999999997 110.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 t -103.27 -14.96 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 54.310000000000002 110.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -75.21 172.23 12.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 74.340000000000003 111.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 m -138.21 162.23 34.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 63.140000000000001 110.014 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 113' ' ' ILE . 3.1 t -138.88 161.2 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 53.229999999999997 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 8.8 m -131.83 102.93 6.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 110.389 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.001 HD13 ' CD1' ' A' ' 111' ' ' TYR . 36.9 tp -88.18 122.91 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 60.420000000000002 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 t -118.65 130.96 56.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 65.540000000000006 110.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.928 HG23 HG22 ' A' ' 109' ' ' VAL . 2.1 m -108.41 150.54 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.349999999999994 110.412 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -85.44 171.91 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 71.099999999999994 109.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.6 ptm -66.07 -10.1 37.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 71.530000000000001 110.981 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -100.68 -19.11 16.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 60.520000000000003 110.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.679 ' HA ' HG22 ' A' ' 102' ' ' THR . 5.6 ttm 63.22 16.92 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 44.420000000000002 111.007 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -15.65 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 73.129999999999995 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.7 m -129.2 126.38 39.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 54.32 110.025 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.928 HG22 HG23 ' A' ' 102' ' ' THR . 2.0 t -141.29 132.44 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.340000000000003 109.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.988 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -118.05 154.33 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 110.997 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 1.001 ' CD1' HD13 ' A' ' 100' ' ' LEU . 65.2 m-85 -112.81 82.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.010000000000005 111.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 110' ' ' TYR . 90.3 m-85 -73.83 109.38 7.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 61.109999999999999 110.982 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.616 ' HA ' HG22 ' A' ' 98' ' ' VAL . 5.9 mt -60.2 142.37 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 73.409999999999997 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.47 107.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 72.030000000000001 109.322 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 9.3 t30 -136.55 92.7 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 64.409999999999997 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.06 -55.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 52.25 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 120' ' ' ALA . 3.1 m-20 -108.43 75.13 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 74.109999999999999 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.828 HG22 ' OH ' ' A' ' 129' ' ' TYR . 2.3 m -83.14 -58.55 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 63.399999999999999 110.375 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -50.53 -26.38 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 72.299999999999997 109.326 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' A' ' 117' ' ' ASP . . . -87.71 -28.45 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 61.43 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 1.0 OUTLIER -86.76 -70.13 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.340000000000003 109.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.903 HG22 HD13 ' A' ' 136' ' ' LEU . 57.8 t -62.83 -65.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 62.299999999999997 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.09 -23.27 15.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 53.210000000000001 110.97 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.638 ' H ' HG12 ' A' ' 122' ' ' VAL . 50.1 m -38.02 140.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 45.32 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.5 174.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 61.009999999999998 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.583 HG13 HD13 ' A' ' 2' ' ' LEU . 23.9 t -84.69 -8.19 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 71.409999999999997 109.316 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.52 -67.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 110.285 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -112.79 47.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 75.400000000000006 109.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.828 ' OH ' HG22 ' A' ' 118' ' ' THR . 4.6 t80 -75.92 -43.21 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 65.519999999999996 110.961 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.785 HD11 ' CD2' ' A' ' 7' ' ' TYR . 2.5 mm? -58.9 -26.27 64.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 64.329999999999998 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.1 p -89.47 -51.16 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 70.129999999999995 110.43 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -16.96 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 54.43 110.297 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.57 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 65.4 t90 -83.61 -61.8 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.977 -1.119 . . . . 63.509999999999998 107.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 130' ' ' LEU . 2.5 tp -56.42 -55.31 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 74.349999999999994 109.361 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 134' ' ' ILE . 30.2 t -55.3 -17.33 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 73.239999999999995 109.96 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.903 HD13 HG22 ' A' ' 122' ' ' VAL . 2.6 tt -91.97 -34.37 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.219999999999999 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.69 ' HB3' HD13 ' A' ' 61' ' ' ILE . 11.4 m-85 -94.32 -2.4 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 75.310000000000002 111.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.73 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.0 tp -84.4 -20.57 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 75.530000000000001 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -68.64 -7.39 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 92' ' ' ASN . 17.1 mt -88.98 -10.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 63' ' ' PHE . 69.9 m-85 -119.58 -32.52 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 71.049999999999997 111.029 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 12.6 t0 -147.11 121.73 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 53.240000000000002 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.579 HD12 ' ND2' ' A' ' 92' ' ' ASN . 2.6 mt -98.16 3.1 49.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.84 -11.99 12.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 60.439999999999998 109.319 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.49 ' CE2' HG12 ' A' ' 138' ' ' ILE . 28.9 t80 -72.34 113.0 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 72.430000000000007 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.52 109.66 61.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.458 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.462 1.769 . . . . 74.409999999999997 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.453 ' OG ' ' CB ' ' A' ' 119' ' ' ASP . 4.9 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.022 -0.362 . . . . 75.310000000000002 110.022 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmm -119.24 -9.29 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 64.140000000000001 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 7' ' ' TYR . 10.2 tp -49.98 101.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.5 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.508 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 62.9 p -75.02 -165.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 73.219999999999999 110.407 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.3 tm? -76.85 -45.47 3.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 64.329999999999998 109.277 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.99 -10.26 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 71.209999999999994 111.046 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.559 ' HB3' HD12 ' A' ' 2' ' ' LEU . 13.6 mm-40 -88.83 -37.69 15.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 72.230000000000004 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.846 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -87.28 -20.26 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 110.976 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' ND2' HD11 ' A' ' 4' ' ' LEU . 3.6 m-20 -78.02 -15.07 59.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 72.030000000000001 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.51 -32.01 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 72.430000000000007 110.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -100.93 11.45 39.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 75.209999999999994 110.339 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -58.48 -45.58 99.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 64.209999999999994 109.301 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.93 0.26 9.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 72.030000000000001 111.035 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 10' ' ' GLN . 2.4 m-20 -93.76 -35.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 130' ' ' LEU . 25.2 t -75.57 -48.0 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 73.400000000000006 109.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HD2' HD21 ' A' ' 34' ' ' LEU . 3.8 ptm180 -65.9 -18.91 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 19' ' ' THR . 27.4 t -74.93 -46.6 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 110.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.961 HD13 ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -77.84 -24.69 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -59.28 -18.21 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 16' ' ' SER . 70.4 p -67.25 -9.82 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 71.239999999999995 110.366 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -81.9 -14.6 55.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 62.25 109.247 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.756 ' CZ3' HG21 ' A' ' 38' ' ' VAL . 1.6 t90 -75.03 128.56 35.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 107.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.16 -15.02 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -81.62 -13.42 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG23 ' CE3' ' A' ' 21' ' ' TRP . 24.2 t -73.97 128.04 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 64.420000000000002 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -110.69 -28.08 8.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 71.219999999999999 110.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -131.64 141.28 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 70.510000000000005 110.276 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -130.2 104.8 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 63.43 109.3 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.96 139.32 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 73.099999999999994 110.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.541 ' HA ' HD23 ' A' ' 34' ' ' LEU . 5.5 p-10 -99.54 163.84 12.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 54.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' CA ' ' A' ' 34' ' ' LEU . 34.3 m -140.76 165.4 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.519999999999996 109.336 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -90.73 31.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -164.76 30.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 109.298 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.92 -120.31 2.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 110.996 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -163.21 150.43 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 71.510000000000005 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 1.3 tm0? -131.78 109.68 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 110.29 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.759 ' H ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.21 170.32 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 109.298 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 70.2 m-20 -129.08 94.89 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 72.319999999999993 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.756 HG21 ' CZ3' ' A' ' 21' ' ' TRP . 9.0 t -85.67 148.53 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.230000000000004 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.15 79.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 70.340000000000003 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.097 HD13 HD12 ' A' ' 90' ' ' ILE . 22.4 mt -53.15 -42.39 66.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 5.2 ttmm -136.46 156.69 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 73.340000000000003 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.53 -16.96 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 52.240000000000002 110.434 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.03 17.92 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 73.109999999999999 109.302 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 66' ' ' TRP . 27.4 m -132.3 148.1 52.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 72.409999999999997 110.405 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -128.78 136.29 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 54.539999999999999 109.281 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -116.22 97.65 6.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.541 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 3.2 tt0 -78.19 101.5 7.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.775 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -94.93 130.79 41.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 71.120000000000005 109.312 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -132.97 113.81 13.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 62.439999999999998 109.673 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 8.8 tt -87.33 135.02 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 51.420000000000002 109.311 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 51' ' ' TYR . 2.0 p90 -153.4 133.08 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.510000000000005 110.97 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -83.04 154.13 24.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 75.530000000000001 110.982 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 48.4 t0 -116.15 137.62 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 72.530000000000001 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -88.29 3.89 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 63.530000000000001 109.577 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -86.47 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 71.230000000000004 109.249 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 75.7 m-85 -91.01 -11.83 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.967 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 39.0 m-70 65.53 43.39 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 61.100000000000001 109.63 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -147.76 167.42 13.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 64.310000000000002 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.95 153.41 41.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.791 . . . . 75.019999999999996 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -126.12 173.52 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 70.010000000000005 110.01 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.558 ' CD1' ' CG ' ' A' ' 137' ' ' TYR . 12.2 mt -138.01 127.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 122.53 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.329999999999998 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.806 ' CD1' HD21 ' A' ' 46' ' ' LEU . 54.9 p90 -138.34 152.9 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 71.420000000000002 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.699 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.0 mtm180 -121.54 121.25 37.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.219999999999999 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.13 HD11 HD13 ' A' ' 87' ' ' LEU . 34.5 mt -65.47 143.8 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 64.310000000000002 109.326 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.615 ' O ' HG23 ' A' ' 44' ' ' THR . 91.5 m95 -137.8 155.91 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 71.340000000000003 107.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.717 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -127.2 97.57 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.209999999999994 109.976 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.2 123.19 20.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 109.332 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -119.88 110.48 16.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.5 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.77 33.4 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 74.239999999999995 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -44.32 -43.38 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 110.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 3.6 mt-10 -104.17 -12.99 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER 81.71 52.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 75.540000000000006 109.274 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -113.65 -5.01 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 73.109999999999999 109.28 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t 73.82 41.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.439999999999998 110.012 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.81 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -78.92 175.08 10.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 74.120000000000005 110.037 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 77' ' ' LEU . 3.5 pp -168.34 162.6 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.530000000000001 109.316 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -155.47 130.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 110.322 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.2 tp -49.53 134.04 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 73.310000000000002 109.286 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 67' ' ' SER . 36.7 mt -100.02 162.32 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 75.430000000000007 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m -159.45 112.76 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 65.510000000000005 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -143.05 166.99 23.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 43.140000000000001 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -55.88 -173.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 72.109999999999999 109.99 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -80.58 -38.47 29.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 65.140000000000001 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -70.45 -32.81 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 63.240000000000002 109.997 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.531 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.2 mt-10 -74.35 -32.16 62.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.13 HD13 HD11 ' A' ' 65' ' ' LEU . 8.1 tp -82.55 -33.55 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 72.420000000000002 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -54.53 -19.92 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 63.229999999999997 110.274 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -55.1 -23.91 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 110.037 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.097 HD12 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -116.12 -37.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 72.299999999999997 109.292 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 27.5 mt -84.66 177.86 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 75.439999999999998 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.0 m-80 -145.39 97.61 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 109.289 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.626 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.7 -58.32 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 64.349999999999994 109.312 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.62 -82.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 73.200000000000003 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LEU . 1.2 t -110.44 -23.23 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 61.399999999999999 110.427 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -69.63 -169.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 111.021 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -149.48 167.11 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 72.329999999999998 109.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 113' ' ' ILE . 12.1 p -151.44 156.74 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -134.79 123.04 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.129999999999995 110.401 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 101' ' ' SER . 4.8 tt -92.22 135.79 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 64.040000000000006 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.885 ' N ' HD23 ' A' ' 100' ' ' LEU . 26.6 t -128.53 143.61 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 41.420000000000002 110.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.952 HG23 HG22 ' A' ' 109' ' ' VAL . 25.1 m -130.37 147.24 52.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 73.230000000000004 110.415 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -80.53 149.53 29.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.1 ttp -61.71 -18.99 61.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 111.005 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -83.64 -10.96 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 35.210000000000001 110.308 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 mtt 51.22 27.47 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 52.140000000000001 110.969 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -35.85 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 71.439999999999998 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 p -132.56 156.72 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 72.140000000000001 109.958 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.952 HG22 HG23 ' A' ' 102' ' ' THR . 9.9 t -149.16 159.45 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.28 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -152.62 168.62 25.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 75.200000000000003 110.997 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.832 ' CE2' HD12 ' A' ' 100' ' ' LEU . 74.1 m-85 -122.6 111.96 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 111.034 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -90.85 110.83 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 73.099999999999994 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.533 ' HA ' HG23 ' A' ' 98' ' ' VAL . 3.6 mt -74.38 142.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 109.291 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.495 ' N ' HD22 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -59.79 113.12 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 62.32 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -134.56 27.86 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 71.519999999999996 109.344 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.55 -37.89 13.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 73.400000000000006 108.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.27 38.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.229999999999997 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.653 HG22 ' OH ' ' A' ' 129' ' ' TYR . 3.6 m -82.99 -56.86 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 33.140000000000001 110.412 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.453 ' CB ' ' OG ' ' A' ' 0' ' ' SER . 2.9 p30 -50.8 -26.2 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 64.030000000000001 109.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.73 -28.4 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 40.409999999999997 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 118' ' ' THR . 36.1 m-20 -86.47 -69.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.284 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.766 ' HB ' HD13 ' A' ' 136' ' ' LEU . 1.3 p -63.75 -49.59 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 45.409999999999997 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . 126.65 -163.9 20.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 64.439999999999998 111.044 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' VAL . 64.0 p -109.34 -23.07 11.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 65.219999999999999 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 64.400000000000006 109.258 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.768 HG23 HD13 ' A' ' 2' ' ' LEU . 1.7 p -77.02 -7.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -50.6 -67.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 53.32 110.27 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.3 m-70 -125.95 46.73 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.519999999999996 109.596 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.653 ' OH ' HG22 ' A' ' 118' ' ' THR . 4.0 t80 -70.09 -37.15 75.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 110.98 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.844 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.7 mm? -66.7 -27.9 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 64.329999999999998 109.258 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -90.4 -32.02 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 71.430000000000007 110.377 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 128' ' ' HIS . 28.6 mtt180 -86.43 -16.27 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 75.040000000000006 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 83.5 t90 -88.38 -46.29 9.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.989 -1.115 . . . . 65.019999999999996 107.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.809 HG21 HD21 ' A' ' 17' ' ' LEU . 7.5 tp -56.17 -50.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 70.230000000000004 109.334 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.507 ' HA ' HG22 ' A' ' 138' ' ' ILE . 8.6 t -71.46 -1.35 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 75.439999999999998 110.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.766 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -97.57 -42.91 7.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 70.510000000000005 109.339 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -91.55 -47.56 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.109999999999999 110.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 134' ' ' ILE . 7.3 tp -44.51 -31.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 71.299999999999997 109.295 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -57.61 -42.1 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 73.239999999999995 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 92' ' ' ASN . 65.6 mt -58.9 -14.29 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.775 ' CE2' HD12 ' A' ' 48' ' ' LEU . 7.2 m-85 -108.85 -32.68 7.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 73.519999999999996 111.001 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.514 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -148.76 107.17 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.209999999999994 109.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -86.95 2.71 48.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 52.030000000000001 109.299 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -112.36 -16.27 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 70.409999999999997 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.441 ' HZ ' HD12 ' A' ' 17' ' ' LEU . 63.3 t80 -72.64 112.4 8.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 111.016 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 116.58 56.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.030000000000001 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.961 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.439 1.758 . . . . 65.420000000000002 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 119' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.037 -0.356 . . . . 62.340000000000003 110.037 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmm -132.01 5.95 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 51.210000000000001 111.032 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 7' ' ' TYR . 11.4 tp -51.83 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.485 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 81.1 p -74.83 -170.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 54.340000000000003 110.392 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.34 -46.05 4.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 55.329999999999998 109.285 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.01 -7.5 19.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 74.109999999999999 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 2' ' ' LEU . 13.7 mm-40 -88.59 -38.57 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.867 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -87.5 -36.49 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 71.420000000000002 110.994 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.584 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.1 t-20 -65.93 -17.37 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 109.271 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -74.4 -24.11 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 2.9 mt-30 -115.27 16.39 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 52.43 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.867 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -62.33 -46.56 90.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 70.340000000000003 109.332 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 75.340000000000003 110.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 5.4 m-20 -90.83 -34.04 15.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 65.25 109.322 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.958 ' CG1' HD13 ' A' ' 134' ' ' ILE . 69.3 t -74.88 -46.73 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 73.120000000000005 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.768 ' HA ' HD22 ' A' ' 18' ' ' LEU . 20.6 ptt180 -67.48 -19.15 65.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.804 ' O ' HG23 ' A' ' 19' ' ' THR . 14.4 t -68.24 -62.32 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 110.021 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.864 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.0 pp -61.15 -24.22 66.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.109999999999999 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.863 HD23 HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -55.34 -24.24 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.150000000000006 109.282 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 16' ' ' SER . 63.3 p -55.97 -17.44 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 74.5 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 26.5 mmmt -78.24 -37.89 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.2 t90 -52.59 112.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 74.340000000000003 107.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.61 -17.35 48.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 65.140000000000001 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -77.47 -24.65 50.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' CD2' ' A' ' 21' ' ' TRP . 22.5 t -68.88 111.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 61.210000000000001 109.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -98.13 -21.77 16.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 50.340000000000003 110.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.42 145.16 51.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.25 110.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.693 HD13 HD23 ' A' ' 36' ' ' LEU . 1.7 mm -132.84 112.51 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.140000000000001 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.711 ' O ' HD23 ' A' ' 34' ' ' LEU . 7.9 tt0 -146.97 156.57 43.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 71.120000000000005 110.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 30' ' ' VAL . 7.5 t70 -119.1 166.76 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 71.349999999999994 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' N ' ' OD2' ' A' ' 29' ' ' ASP . 2.4 m -139.36 179.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 54.340000000000003 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 4.6 tt0 -73.42 92.83 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 78.27 47.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 61.32 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 172.97 -166.52 39.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 62.149999999999999 111.02 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -156.54 142.95 18.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 72.450000000000003 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.8 tm0? -127.79 111.15 13.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 74.349999999999994 110.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.863 HD21 HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -119.36 170.62 8.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 75.209999999999994 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.796 ' OD2' HD21 ' A' ' 45' ' ' LEU . 11.3 t70 -117.18 98.43 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 65.519999999999996 109.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.67 HG12 HD12 ' A' ' 40' ' ' LEU . 41.9 t -89.03 114.48 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 73.230000000000004 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -89.5 95.4 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 110.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 HG12 ' A' ' 38' ' ' VAL . 8.8 mp -75.0 -47.77 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.030000000000001 109.293 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 6.4 ttmt -137.97 154.62 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 55.149999999999999 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.29 -14.38 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 74.439999999999998 110.395 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -125.56 18.32 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 60.340000000000003 109.307 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -146.14 132.86 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 54.409999999999997 110.389 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -126.44 131.63 51.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 73.019999999999996 109.288 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.994 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.6 tm? -116.95 112.78 21.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 73.200000000000003 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' OE2' ' CD1' ' A' ' 66' ' ' TRP . 1.4 mp0 -85.53 137.96 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.140000000000001 110.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.689 HD23 ' CE2' ' A' ' 141' ' ' PHE . 2.0 tm? -116.6 116.64 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 65.430000000000007 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.493 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.3 m170 -121.02 102.06 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.627 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 10.6 tt -85.66 134.07 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 64.530000000000001 109.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.7 p90 -150.2 135.38 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 74.209999999999994 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 1.6 t80 -80.96 154.8 26.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.219999999999999 110.971 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.767 ' OD2' HG23 ' A' ' 55' ' ' VAL . 62.3 t0 -130.64 131.95 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.42 3.69 38.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 64.430000000000007 109.639 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.767 HG23 ' OD2' ' A' ' 53' ' ' ASP . 54.4 t -68.19 -47.39 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 74.030000000000001 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.701 ' CD2' HG12 ' A' ' 55' ' ' VAL . 46.3 m-85 -122.33 3.87 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 75.530000000000001 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 60.93 51.85 4.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 65.140000000000001 109.581 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.455 HG11 ' HB ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -149.44 164.84 19.33 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.340000000000003 109.261 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.98 151.28 39.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 54.229999999999997 111.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.8 t -120.19 172.24 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 62.25 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.582 HD11 ' CZ2' ' A' ' 133' ' ' TRP . 10.3 mt -137.74 141.14 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 62.020000000000003 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 112' ' ' TYR . 7.3 ttpt -154.41 118.52 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.639 ' HB2' HD21 ' A' ' 46' ' ' LEU . 22.4 p90 -128.97 170.29 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 75.129999999999995 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.585 ' NH2' ' CZ2' ' A' ' 66' ' ' TRP . 8.6 mtp180 -140.69 141.41 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 72.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.976 ' O ' HD12 ' A' ' 79' ' ' LEU . 73.0 mt -86.52 137.77 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.209999999999994 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.585 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 90.1 m95 -129.43 172.85 11.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.230000000000004 108.017 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.974 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -142.67 97.34 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 71.329999999999998 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -67.9 123.24 20.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -119.01 113.47 21.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 53.420000000000002 109.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.58 34.81 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 42.020000000000003 110.396 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -51.83 -44.41 63.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.549999999999997 110.301 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.655 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.9 mt-10 -102.62 -2.91 27.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 75.310000000000002 110.336 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.62 48.29 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 45.340000000000003 109.271 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.728 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.78 -8.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 70.25 109.245 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.4 t 83.23 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.439999999999998 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.669 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -80.05 177.55 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 61.200000000000003 109.982 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.7 pp -170.54 163.49 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 71.010000000000005 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' SER . 54.7 ttt85 -155.31 142.38 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 53.219999999999999 110.251 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.976 HD12 ' O ' ' A' ' 65' ' ' LEU . 28.8 tp -66.7 136.82 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.323 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 67' ' ' SER . 90.3 mt -109.16 162.19 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 72.120000000000005 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 p -144.85 95.45 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 110.361 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.796 HD11 HD13 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -127.92 167.35 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 74.530000000000001 109.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 m -74.54 -168.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 110.037 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' GLU . 56.5 m-20 -71.43 -54.16 11.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.239999999999995 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -38.33 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.200000000000003 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.678 ' HB2' HD13 ' A' ' 82' ' ' LEU . 1.7 mt-10 -88.33 -47.36 8.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 65.430000000000007 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.876 HD13 HD11 ' A' ' 65' ' ' LEU . 53.5 tp -54.67 -57.98 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 64.109999999999999 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -50.97 -30.38 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.120000000000005 110.3 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.6 t -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.109999999999999 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -123.38 -42.86 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.317 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 87' ' ' LEU . 14.7 mt -75.77 166.18 23.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 73.019999999999996 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.843 ' CG ' HD12 ' A' ' 143' ' ' LEU . 68.2 m-80 -121.7 97.17 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 64.109999999999999 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -90.51 -58.19 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.284 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.12 -85.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -114.0 -18.47 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 75.219999999999999 110.404 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' HD11 ' A' ' 140' ' ' ILE . 8.4 m-85 -61.27 173.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.430000000000007 111.005 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 98' ' ' VAL . 19.4 m -130.1 166.38 20.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 62.539999999999999 110.009 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 99' ' ' THR . 3.2 t -153.68 163.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 109.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.492 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -150.77 112.13 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 75.430000000000007 110.395 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.004 HD11 HG12 ' A' ' 109' ' ' VAL . 50.7 tp -80.1 129.36 34.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 73.310000000000002 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -129.52 157.8 41.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.040000000000006 109.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.884 ' OG1' HG13 ' A' ' 109' ' ' VAL . 52.5 m -138.01 149.24 45.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 44.539999999999999 110.397 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -76.73 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 109.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 ptp -61.32 -29.79 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.140000000000001 111.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -69.54 -16.38 63.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 74.010000000000005 110.342 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 26.9 mtt 49.7 24.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 72.409999999999997 110.999 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.09 -17.38 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 61.149999999999999 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.778 ' O ' HG23 ' A' ' 102' ' ' THR . 1.4 t -131.49 156.07 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 71.219999999999999 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.004 HG12 HD11 ' A' ' 100' ' ' LEU . 2.2 t -142.56 136.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -138.05 146.82 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 110.999 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.835 ' CE1' HD13 ' A' ' 100' ' ' LEU . 99.1 m-85 -103.7 126.24 50.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 35.7 m-85 -103.61 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 111.038 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -70.15 134.35 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 97' ' ' SER . 2.7 m-80 -54.29 111.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 74.099999999999994 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 8.8 p-10 -139.56 47.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.2 p -92.62 -46.41 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 74.530000000000001 108.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -105.07 78.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.908 HG22 ' OH ' ' A' ' 129' ' ' TYR . 4.5 m -80.96 -56.7 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 51.350000000000001 110.409 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 0' ' ' SER . 8.0 t0 -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.75 -14.35 39.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 54.310000000000002 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 9.4 m-20 -94.4 -69.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 41.149999999999999 109.306 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.808 ' HB ' HD13 ' A' ' 136' ' ' LEU . 8.9 p -81.62 -54.7 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.530000000000001 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.569 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 83.43 -16.97 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 63.299999999999997 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.6 p -38.73 142.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 60.350000000000001 110.05 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.83 -179.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 109.332 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 2' ' ' LEU . 19.3 t -84.69 -8.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 61.549999999999997 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.3 -67.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 64.530000000000001 110.296 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -115.89 47.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 109.573 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.908 ' OH ' HG22 ' A' ' 118' ' ' THR . 2.9 t80 -73.21 -42.74 62.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.5 mm? -68.79 -22.81 64.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 p -90.12 -33.09 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 73.030000000000001 110.393 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -89.09 -16.75 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 74.200000000000003 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.582 ' CZ2' HD11 ' A' ' 61' ' ' ILE . 76.5 t90 -86.18 -37.64 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 108.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.958 HD13 ' CG1' ' A' ' 14' ' ' VAL . 7.3 tp -61.4 -47.62 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 61.43 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.622 ' HA ' HG22 ' A' ' 138' ' ' ILE . 2.8 t -72.61 0.1 11.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 75.019999999999996 110.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.808 HD13 ' HB ' ' A' ' 122' ' ' VAL . 0.0 OUTLIER -94.98 -43.61 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 52.32 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.793 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -94.42 -45.65 7.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 73.099999999999994 111.044 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.92 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 5.9 tp -46.75 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 72.510000000000005 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 137' ' ' TYR . 19.0 mtp180 -64.28 -40.93 96.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 62.43 110.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.565 HD11 ' CD2' ' A' ' 96' ' ' PHE . 32.4 mt -62.59 -11.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.689 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.8 m-85 -107.54 -38.38 5.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.98 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -148.85 122.15 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 61.409999999999997 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.843 HD12 ' CG ' ' A' ' 92' ' ' ASN . 4.0 mt -97.71 3.92 50.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 63.030000000000001 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.06 -13.6 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 73.099999999999994 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -94.37 105.19 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 110.999 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.21 98.61 40.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 62.530000000000001 109.335 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.864 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.534 1.807 . . . . 72.219999999999999 110.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.589 ' HB2' HG13 ' A' ' 58' ' ' VAL . 20.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.023 -0.362 . . . . 70.5 110.023 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm -131.71 5.37 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.219999999999999 110.962 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 7' ' ' TYR . 11.9 tp -50.47 105.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 44.130000000000003 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.479 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 58.4 p -76.22 -170.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.239999999999995 110.374 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -75.89 -46.01 3.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 61.420000000000002 109.277 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -75.02 -7.96 19.62 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 71.439999999999998 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HB3' HD12 ' A' ' 2' ' ' LEU . 5.5 mm-40 -88.59 -44.3 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 72.129999999999995 110.263 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.849 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.06 -38.37 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 110.981 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.5 t-20 -63.0 -15.76 57.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 62.240000000000002 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -78.28 -28.23 47.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 65.109999999999999 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -106.89 12.5 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.209999999999994 110.29 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.779 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -57.45 -46.51 99.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 109.296 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.1 Cg_endo -75.04 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 74.450000000000003 110.964 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 2.9 m-20 -93.45 -35.39 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 74.129999999999995 109.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 130' ' ' LEU . 54.0 t -69.95 -44.84 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 65.129999999999995 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 19' ' ' THR . 19.4 ptt180 -71.12 -25.9 62.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.310000000000002 110.273 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 19' ' ' THR . 9.2 t -64.88 -39.78 94.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 50.520000000000003 109.966 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.7 pp -88.59 -33.65 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.310000000000002 109.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.91 ' N ' HD12 ' A' ' 17' ' ' LEU . 1.5 tp -62.09 -34.59 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 64.409999999999997 109.324 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 15' ' ' ARG . 1.6 p -58.73 -15.48 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 60.219999999999999 110.393 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 109.308 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.865 ' CH2' HG11 ' A' ' 38' ' ' VAL . 1.5 t90 -48.87 131.36 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 62.350000000000001 107.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.3 -1.54 53.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 75.120000000000005 109.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -100.67 -26.25 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 52.409999999999997 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' CE3' ' A' ' 21' ' ' TRP . 12.7 t -59.2 131.84 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 71.319999999999993 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -111.05 -28.79 8.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 53.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 148.03 50.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 72.319999999999993 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 36' ' ' LEU . 2.5 mm -139.78 113.21 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.099999999999994 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.868 ' O ' HD23 ' A' ' 34' ' ' LEU . 13.3 tt0 -141.43 156.08 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.049999999999997 110.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -117.23 161.93 18.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 71.25 109.282 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' C ' ' A' ' 33' ' ' GLY . 1.6 m -135.6 176.42 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.450000000000003 109.318 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 16.8 tt0 -72.39 93.27 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 110.344 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER 79.88 45.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 71.219999999999999 109.286 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.503 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 173.51 -168.81 41.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 111.004 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -153.9 149.29 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 71.430000000000007 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.447 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -130.04 112.83 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 72.400000000000006 110.264 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.765 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -118.72 146.88 44.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -104.35 95.04 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 64.510000000000005 109.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.865 HG11 ' CH2' ' A' ' 21' ' ' TRP . 11.1 t -82.52 148.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 44' ' ' THR . 1.9 mmt-85 -113.25 87.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 55.219999999999999 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 27.1 mt -63.39 -39.38 94.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -142.39 159.08 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 109.307 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -61.08 -13.97 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 62.219999999999999 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -128.07 13.49 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.430000000000007 109.332 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 66' ' ' TRP . 90.7 m -128.21 153.64 46.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 70.140000000000001 110.415 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 38' ' ' VAL . 1.4 tm? -137.67 132.36 32.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.838 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.4 tm? -119.16 104.68 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 51.100000000000001 109.33 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HB3' ' HE2' ' A' ' 49' ' ' HIS . 2.5 mt-10 -83.83 116.09 22.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 62.43 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 141' ' ' PHE . 5.0 tt -106.94 135.04 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 73.120000000000005 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.536 ' HE2' ' HB3' ' A' ' 47' ' ' GLU . 1.9 m170 -130.16 155.24 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 53.32 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 9.0 tt -129.75 130.47 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 109.351 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 p90 -144.79 131.87 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.25 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 44.9 t80 -70.21 146.07 50.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.789 ' OD2' HG23 ' A' ' 55' ' ' VAL . 39.4 t0 -126.69 110.54 13.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 72.430000000000007 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 54' ' ' HIS . 4.0 m-70 -71.27 -6.66 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.450000000000003 109.564 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.789 HG23 ' OD2' ' A' ' 53' ' ' ASP . 64.2 t -59.58 -42.57 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 54.32 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.441 ' O ' HG22 ' A' ' 58' ' ' VAL . 44.2 m-85 -122.59 3.98 9.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 111.027 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 64.04 33.55 12.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 55.539999999999999 109.583 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 0' ' ' SER . 0.0 OUTLIER -139.57 162.02 53.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 64.439999999999998 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.703 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 163.53 35.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.462 1.769 . . . . 73.209999999999994 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -129.26 172.93 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 74.200000000000003 109.986 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.805 HD12 ' CD2' ' A' ' 137' ' ' TYR . 38.8 mt -140.24 127.45 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.010000000000005 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.92 128.11 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 71.209999999999994 109.287 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CD1' HD21 ' A' ' 46' ' ' LEU . 40.6 p90 -141.29 164.08 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.966 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -140.78 118.46 11.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 73.319999999999993 110.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.815 HD23 HD23 ' A' ' 46' ' ' LEU . 7.4 mt -64.31 144.67 56.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 64.439999999999998 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.625 ' O ' HG23 ' A' ' 44' ' ' THR . 95.3 m95 -126.92 158.0 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 61.420000000000002 107.977 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.732 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -128.35 97.7 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 75.510000000000005 109.978 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 125.73 27.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 75.299999999999997 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -121.79 112.84 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 61.439999999999998 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.49 31.99 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 53.020000000000003 110.402 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.07 -43.09 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 62.439999999999998 110.239 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.1 mt-10 -104.38 -14.0 15.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 74.209999999999994 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER 81.56 50.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 63.210000000000001 109.338 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.828 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.54 -3.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.430000000000007 109.285 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t 73.51 45.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.409999999999997 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.828 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -81.08 176.46 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.219999999999999 109.973 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 77' ' ' LEU . 4.0 pp -172.2 160.72 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 71.530000000000001 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -155.29 138.65 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 72.209999999999994 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 64' ' ' ARG . 13.8 tp -56.43 132.85 52.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 74.519999999999996 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 ' HB2' ' A' ' 67' ' ' SER . 26.1 mt -95.27 146.09 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 HG21 ' A' ' 109' ' ' VAL . 1.3 p -139.07 92.28 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 64.439999999999998 110.385 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.893 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -125.66 167.52 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 54.539999999999999 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -60.7 -175.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 53.420000000000002 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -77.34 -34.49 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.120000000000005 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.9 m -56.81 -37.34 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 70.450000000000003 109.998 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.893 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.8 mt-10 -79.94 -45.16 19.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.239999999999995 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 65' ' ' LEU . 1.7 tp -61.42 -26.73 68.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.23 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 74.310000000000002 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.607 ' HB3' HD13 ' A' ' 90' ' ' ILE . 9.2 t -68.46 -27.27 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 50.420000000000002 109.981 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.71 ' N ' HD13 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -112.44 -44.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 70.239999999999995 109.342 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mt -86.9 171.12 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 73.340000000000003 109.324 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.77 ' O ' HG23 ' A' ' 140' ' ' ILE . 60.2 m-80 -129.2 103.74 7.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 63.130000000000003 109.273 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.91 -58.0 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 63.030000000000001 109.265 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.95 -91.35 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 21.129999999999999 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -116.27 -2.19 12.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 74.540000000000006 110.352 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 140' ' ' ILE . 10.9 m-85 -69.02 -171.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 65.230000000000004 110.977 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -146.76 148.86 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 109.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 113' ' ' ILE . 2.9 t -138.59 164.08 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 34.420000000000002 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.506 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 1.1 m -134.75 114.67 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.319999999999993 110.422 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.996 HD11 HG12 ' A' ' 109' ' ' VAL . 3.1 tp -90.44 121.88 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.120000000000005 109.325 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 t -115.13 136.87 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 34.140000000000001 109.984 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.817 HG23 HG22 ' A' ' 109' ' ' VAL . 2.8 m -138.5 131.67 30.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.299999999999997 110.391 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -75.81 167.35 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 64.230000000000004 109.27 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.4 tpp -59.04 -31.04 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 71.140000000000001 111.023 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 106' ' ' MET . 20.4 tt0 -70.53 -9.59 57.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 71.239999999999995 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 105' ' ' GLU . 19.7 ptm 44.77 22.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 75.420000000000002 111.055 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -100.46 -18.23 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 55.32 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p -123.26 134.58 54.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 70.040000000000006 109.96 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 100' ' ' LEU . 1.9 t -141.34 134.23 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.581 ' O ' HD12 ' A' ' 100' ' ' LEU . 2.0 m-85 -128.71 153.33 47.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.963 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.839 ' CE1' HD22 ' A' ' 100' ' ' LEU . 47.2 m-85 -115.28 79.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 110.984 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -68.41 108.58 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.310000000000002 110.953 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 98' ' ' VAL . 4.7 mt -68.96 136.06 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 73.439999999999998 109.253 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -55.72 110.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 50.509999999999998 109.339 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 7.4 p-10 -140.21 43.3 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 71.219999999999999 109.312 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.99 -55.57 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 71.329999999999998 108.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -96.98 46.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 51.450000000000003 109.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.681 HG22 ' OH ' ' A' ' 129' ' ' TYR . 0.9 OUTLIER -67.81 -44.84 76.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 62.32 110.41 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -29.83 49.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 75.409999999999997 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.51 -23.8 24.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 54.329999999999998 109.323 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -79.25 -69.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 74.519999999999996 109.291 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 1.008 HG22 HD13 ' A' ' 136' ' ' LEU . 2.9 t -77.38 -65.62 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.261 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.28 -23.11 16.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 54.100000000000001 110.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.6 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 11.2 t -38.23 139.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 51.210000000000001 110.007 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.81 161.04 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.319999999999993 109.335 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.716 HG23 HD13 ' A' ' 2' ' ' LEU . 2.0 p -67.76 -9.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -53.55 -67.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 72.049999999999997 110.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.408 ' O ' ' OG1' ' A' ' 131' ' ' THR . 20.1 m-70 -124.38 48.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 53.210000000000001 109.564 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.681 ' OH ' HG22 ' A' ' 118' ' ' THR . 6.0 t80 -77.71 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 64.5 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.915 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.5 mm? -38.09 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 75.109999999999999 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' TYR . 25.8 p -81.91 -50.28 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 110.384 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 136' ' ' LEU . 7.8 tpt85 -67.66 -54.81 16.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.209999999999994 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.66 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 58.1 t90 -40.82 -64.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.994 -1.113 . . . . 65.129999999999995 107.994 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' ILE . 6.3 tp -53.97 -51.74 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 70.349999999999994 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 134' ' ' ILE . 27.7 t -56.04 -16.57 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 109.991 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.008 HD13 HG22 ' A' ' 122' ' ' VAL . 2.6 tt -96.52 -31.53 12.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.540000000000006 109.277 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.805 ' CD2' HD12 ' A' ' 61' ' ' ILE . 13.3 m-85 -94.17 -1.87 53.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 75.329999999999998 111.028 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 145' ' ' PHE . 4.7 tp -86.97 -19.72 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 63.530000000000001 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -74.41 -5.65 43.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 73.030000000000001 110.294 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.77 HG23 ' O ' ' A' ' 92' ' ' ASN . 13.6 mt -93.55 -9.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 73.510000000000005 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 48' ' ' LEU . 87.7 m-85 -118.58 -34.05 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 53.439999999999998 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -148.21 119.65 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 62.329999999999998 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 92' ' ' ASN . 3.6 mt -96.84 2.72 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.319999999999993 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.86 -11.27 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.288 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.3 OUTLIER -108.39 107.09 17.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.230000000000004 111.008 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.81 102.12 54.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 71.310000000000002 109.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.572 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.468 1.772 . . . . 72.530000000000001 110.957 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.452 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.988 -0.375 . . . . 61.119999999999997 109.988 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -6.61 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 70.200000000000003 111.008 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 7' ' ' TYR . 6.9 tp -50.81 100.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.530000000000001 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.51 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 73.9 p -73.8 -167.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 75.319999999999993 110.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.4 tm? -76.34 -45.45 3.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 74.219999999999999 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.01 -10.77 21.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 72.519999999999996 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 6.7 mm-40 -88.41 -35.06 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.758 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.84 -20.89 24.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 71.510000000000005 111.007 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.82 -17.06 54.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.25 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -70.61 -22.81 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 18.6 mt-30 -114.82 12.96 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 62.520000000000003 110.295 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -57.96 -44.11 99.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 64.340000000000003 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.94 0.07 9.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 64.329999999999998 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.87 -37.06 11.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 65.019999999999996 109.295 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 130' ' ' LEU . 55.6 t -68.96 -55.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 61.310000000000002 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.817 ' O ' HG23 ' A' ' 19' ' ' THR . 5.2 ptt85 -57.59 -30.05 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -58.43 -52.64 64.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 75.239999999999995 109.978 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.974 HD13 ' HB3' ' A' ' 147' ' ' PRO . 3.2 pp -78.83 -23.69 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 71.439999999999998 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 18' ' ' LEU . 6.3 tp -60.66 -27.57 67.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 71.140000000000001 109.259 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.7 p -62.28 -23.28 66.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.099999999999994 110.427 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.25 -14.91 62.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.583 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -68.67 115.86 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 64.450000000000003 107.996 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.65 -13.64 44.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 55.25 109.309 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -82.78 -22.68 34.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 73.129999999999995 109.287 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 38' ' ' VAL . 20.3 t -73.45 118.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.219999999999999 109.262 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -91.73 -27.61 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 71.510000000000005 110.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.76 132.21 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 70.420000000000002 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.4 mm -112.14 103.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 72.409999999999997 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 7.1 tt0 -122.4 151.4 41.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 110.307 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -119.75 157.71 28.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 61.240000000000002 109.302 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG22 ' N ' ' A' ' 34' ' ' LEU . 15.9 m -122.36 174.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 71.25 109.28 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.92 28.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 110.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -169.12 33.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.430000000000007 109.306 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 142.6 -119.19 1.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 52.039999999999999 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -162.26 172.92 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 71.129999999999995 109.325 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.773 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.4 tm0? -157.07 106.56 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 52.039999999999999 110.339 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.45 171.84 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 43.439999999999998 109.255 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -129.31 95.34 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 70.219999999999999 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 24' ' ' VAL . 2.2 t -88.13 141.33 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 2.8 mmt-85 -97.42 78.08 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.043 HD13 HD12 ' A' ' 90' ' ' ILE . 12.9 mt -51.74 -31.34 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.120000000000005 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.6 ttmt -157.98 159.56 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 70.109999999999999 109.277 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -59.39 -14.78 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 75.400000000000006 110.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.05 17.96 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.448 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 12.5 m -135.93 134.23 38.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.439999999999998 110.4 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.017 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -124.66 125.73 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.017 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -111.87 116.38 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 71.239999999999995 109.327 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.709 ' OE2' HD21 ' A' ' 45' ' ' LEU . 2.3 mp0 -100.34 121.58 41.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.5 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.821 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -101.35 127.36 48.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.274 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 11.5 m170 -120.4 102.83 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 14.7 tt -85.69 136.21 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 33.1 p90 -152.66 172.65 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 1.8 t80 -109.8 141.19 42.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 111.019 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.64 123.17 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 70.299999999999997 109.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.18 3.81 47.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 62.030000000000001 109.581 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.938 HG13 ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -101.16 -31.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 74.219999999999999 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.938 ' CD2' HG13 ' A' ' 55' ' ' VAL . 55.8 m-85 -116.92 -13.51 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.442 ' ND1' ' OH ' ' A' ' 52' ' ' TYR . 11.6 m-70 60.61 53.13 4.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 73.400000000000006 109.594 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 0' ' ' SER . 0.0 OUTLIER -153.4 164.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 65.310000000000002 109.258 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.613 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -75.02 148.2 34.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.56 1.821 . . . . 54.140000000000001 111.009 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 m -133.19 174.23 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 53.420000000000002 109.963 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.707 ' CD1' ' CD1' ' A' ' 137' ' ' TYR . 9.7 mt -135.98 131.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.120000000000005 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 11.3 ttpt -143.29 118.58 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 75.420000000000002 109.257 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 91' ' ' LEU . 54.0 p90 -138.24 159.99 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.991 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.953 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -132.14 133.54 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 110.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.0 mt -72.07 141.93 49.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 72.349999999999994 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' A' ' 77' ' ' LEU . 95.2 m95 -127.54 153.7 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 72.129999999999995 107.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.656 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -125.88 97.61 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -69.08 124.93 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.209999999999994 109.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.63 114.02 20.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.39 34.65 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 61.43 110.391 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -36.04 67.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 110.328 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.661 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.09 -1.94 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 54.549999999999997 110.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.56 48.27 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.89 -6.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 72.510000000000005 109.297 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.7 t 78.45 50.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.709 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -87.02 177.81 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 40.240000000000002 110.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.622 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.4 pp -169.07 162.85 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 74.010000000000005 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.68 131.92 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 75.120000000000005 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 64' ' ' ARG . 7.5 tp -51.16 136.88 23.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 72.420000000000002 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.9 mt -100.76 154.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.329999999999998 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -143.43 88.39 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 62.5 110.374 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -121.96 167.14 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 74.150000000000006 109.258 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -66.68 -174.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 74.25 109.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -21.3 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 60.43 109.314 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.5 m -64.47 -32.93 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.98 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.819 ' HB2' HD13 ' A' ' 82' ' ' LEU . 5.3 mt-10 -89.02 -46.99 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 110.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 87' ' ' LEU . 2.6 tt -55.7 -50.89 69.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.030000000000001 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.496 ' N ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -58.84 -16.19 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 73.25 110.302 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 1.8 t -64.46 -27.32 68.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 71.349999999999994 109.974 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.043 HD12 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -112.67 -33.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 54.049999999999997 109.288 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 63' ' ' PHE . 11.9 mt -94.22 173.26 7.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 72.430000000000007 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.838 ' O ' HG23 ' A' ' 140' ' ' ILE . 63.5 m-80 -135.06 105.0 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 64.140000000000001 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.608 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.87 -57.99 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 74.219999999999999 109.361 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 53.41 -88.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 111.021 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.2 t -106.52 20.32 19.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 61.130000000000003 110.41 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.74 162.7 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.209999999999994 111.03 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -129.16 158.88 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 64.340000000000003 109.99 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 99' ' ' THR . 7.4 p -138.91 169.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 98' ' ' VAL . 2.3 m -143.05 117.01 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 51.119999999999997 110.383 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.023 HD12 ' O ' ' A' ' 110' ' ' TYR . 22.0 tp -97.5 120.98 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 70.25 109.257 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.696 ' O ' HG13 ' A' ' 109' ' ' VAL . 5.3 t -114.79 158.72 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 74.450000000000003 109.949 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.987 HG23 HG22 ' A' ' 109' ' ' VAL . 4.3 m -131.92 146.72 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.140000000000001 110.381 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 169.88 15.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 64.450000000000003 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -62.79 -17.09 60.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.439999999999998 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -89.24 -13.24 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 73.400000000000006 110.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.61 ' HA ' HG22 ' A' ' 102' ' ' THR . 36.8 mtp 50.36 25.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.030000000000001 110.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -16.79 14.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 44.25 109.322 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -128.77 139.46 52.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 75.349999999999994 109.976 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.987 HG22 HG23 ' A' ' 102' ' ' THR . 3.0 t -143.46 136.42 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 71.349999999999994 109.285 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 1.023 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.6 m-85 -119.97 157.96 27.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 74.340000000000003 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.897 ' CD1' HD13 ' A' ' 100' ' ' LEU . 44.2 m-85 -110.98 77.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.409999999999997 111.046 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 75.3 m-85 -65.85 113.25 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 73.219999999999999 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.439 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.4 mt -70.84 141.96 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.68 111.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 109.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.2 t30 -136.53 35.9 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 41.210000000000001 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.95 -55.5 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 51.5 108.288 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -133.54 93.77 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 72.140000000000001 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.49 ' CG2' ' OH ' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -83.17 -42.55 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 73.109999999999999 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.17 -31.7 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.32 -13.59 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 71.109999999999999 109.329 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.010000000000005 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.564 HG13 ' N ' ' A' ' 123' ' ' GLY . 12.1 p -79.88 -55.12 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.420000000000002 109.271 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.564 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 76.19 -5.65 40.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.0 m -38.24 142.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 73.349999999999994 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.22 157.4 16.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 62.009999999999998 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.53 -11.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 53.229999999999997 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 78.0 mt-10 -63.04 -68.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 54.340000000000003 110.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 46.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.150000000000006 109.617 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.612 ' HD2' HD22 ' A' ' 2' ' ' LEU . 4.1 t80 -75.72 -41.07 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.857 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.2 mm? -70.46 -18.32 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 72.439999999999998 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.7 p -90.32 -47.74 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 61.140000000000001 110.39 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.84 -45.55 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 75.099999999999994 110.332 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.649 ' NE1' ' CE2' ' A' ' 137' ' ' TYR . 79.0 t90 -52.42 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 71.329999999999998 108.032 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.62 HG12 HG13 ' A' ' 14' ' ' VAL . 5.7 tp -53.94 -55.81 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 75.530000000000001 109.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.539 ' N ' HG23 ' A' ' 134' ' ' ILE . 17.8 t -57.07 -15.27 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 41.43 110.051 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 137' ' ' TYR . 0.2 OUTLIER -94.03 -33.51 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.271 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.707 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 12.1 m-85 -94.6 -3.09 50.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 75.150000000000006 110.995 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 145' ' ' PHE . 4.7 tp -81.68 -20.34 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 72.549999999999997 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -76.87 -5.82 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 110.304 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 92' ' ' ASN . 19.0 mt -92.99 -10.19 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 63.399999999999999 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.821 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 84.5 m-85 -119.39 -33.33 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 51.340000000000003 111.006 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 145' ' ' PHE . 49.7 t0 -147.63 112.24 5.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 63.109999999999999 109.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 92' ' ' ASN . 1.3 mt -86.05 3.03 44.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 73.040000000000006 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -111.38 -15.04 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.299999999999997 109.322 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 138' ' ' ILE . 25.6 t80 -71.89 111.02 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 72.540000000000006 111.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.31 112.35 59.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 61.109999999999999 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.974 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 71.329999999999998 110.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.972 -0.381 . . . . 42.409999999999997 109.972 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt -132.87 6.48 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 73.200000000000003 110.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 7' ' ' TYR . 13.3 tp -50.76 110.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 64.3 p -78.86 -171.19 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 71.099999999999994 110.44 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.936 HD23 ' CE1' ' A' ' 54' ' ' HIS . 0.6 OUTLIER -75.5 -45.7 4.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 71.420000000000002 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -7.32 19.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.558 1.82 . . . . 71.430000000000007 110.962 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB3' HD12 ' A' ' 2' ' ' LEU . 4.2 mm-40 -88.3 -41.26 13.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 62.530000000000001 110.312 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.845 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.6 -35.84 22.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 63.450000000000003 111.043 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.579 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 13.2 t-20 -66.06 -23.78 66.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 74.049999999999997 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -68.92 -25.2 64.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 70.319999999999993 110.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.448 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 3.7 mt-30 -114.37 15.24 18.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.845 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -63.92 -46.42 81.23 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 109.3 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.96 -0.04 9.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 73.420000000000002 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 7.3 m-20 -89.48 -33.93 16.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.692 HG12 HD23 ' A' ' 18' ' ' LEU . 72.8 t -73.52 -44.13 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 51.219999999999999 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HD2' HD21 ' A' ' 34' ' ' LEU . 4.0 ptm180 -68.47 -19.11 64.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 64.430000000000007 110.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.5 t -77.25 -42.98 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 52.240000000000002 110.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.04 HD21 HG21 ' A' ' 134' ' ' ILE . 2.3 pp -78.61 -25.59 45.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.692 HD23 HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -58.18 -19.33 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.409999999999997 109.328 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 p -64.78 -11.26 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 54.329999999999998 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -85.05 -19.25 32.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 70.299999999999997 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.698 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.5 t90 -70.46 119.0 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 75.329999999999998 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.47 -1.85 58.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 53.210000000000001 109.315 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 21' ' ' TRP . 2.4 mtpp -93.51 -26.35 17.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 70.120000000000005 109.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.585 HG23 ' CE3' ' A' ' 21' ' ' TRP . 26.2 t -65.24 129.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 61.409999999999997 109.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -112.81 -20.91 11.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.329999999999998 110.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 11.5 ttt-85 -133.6 151.21 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 74.409999999999997 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -139.27 111.53 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 75.299999999999997 109.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 10.8 tt0 -146.75 153.5 40.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 72.129999999999995 110.29 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.621 ' HA ' HD23 ' A' ' 34' ' ' LEU . 6.2 t70 -112.26 166.16 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 73.109999999999999 109.312 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.8 m -138.15 -178.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 63.530000000000001 109.303 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.3 tt0 -78.95 93.91 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 44.32 110.344 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER 81.42 43.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 65.040000000000006 109.313 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 170.68 -170.07 42.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 41.310000000000002 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -148.12 146.01 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 55.009999999999998 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 2.0 tm0? -123.01 117.61 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 110.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.816 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -125.12 149.51 47.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 73.140000000000001 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 69.8 m-20 -101.91 95.15 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 73.120000000000005 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.69 HG12 HD12 ' A' ' 40' ' ' LEU . 21.8 t -78.2 111.82 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.516 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -85.17 88.82 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 75.030000000000001 110.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' ' 46' ' ' LEU . 11.2 mp -69.72 -50.16 46.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 74.519999999999996 109.288 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 18.7 ttmt -133.81 153.52 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 62.240000000000002 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -61.0 -14.95 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 51.140000000000001 110.421 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' LEU . 76.3 m-20 -122.44 15.9 10.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 66' ' ' TRP . 53.3 m -139.4 149.59 44.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 110.381 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.4 tm? -140.16 136.01 33.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 75.340000000000003 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 65' ' ' LEU . 2.3 tm? -126.04 102.06 7.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 63.109999999999999 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.672 ' HG3' HD11 ' A' ' 45' ' ' LEU . 18.0 mt-10 -79.73 121.85 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 32.43 110.327 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.8 tt -108.96 140.66 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -135.22 107.25 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 60.43 109.563 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 5.9 tt -85.33 127.12 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 61.030000000000001 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 6.4 p90 -142.76 136.57 29.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 54.210000000000001 111.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CE2' ' O ' ' A' ' 3' ' ' THR . 3.9 t80 -82.89 144.47 30.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 72.209999999999994 110.981 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.737 ' OD2' HG23 ' A' ' 55' ' ' VAL . 38.2 t0 -120.24 123.82 44.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 75.120000000000005 109.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.936 ' CE1' HD23 ' A' ' 4' ' ' LEU . 2.6 m-70 -79.44 1.38 25.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 61.420000000000002 109.571 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.737 HG23 ' OD2' ' A' ' 53' ' ' ASP . 85.1 t -66.84 -45.96 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 74.099999999999994 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.428 ' C ' HG22 ' A' ' 58' ' ' VAL . 53.2 m-85 -122.08 8.72 9.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.129999999999995 111.004 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 56.98 46.35 19.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 61.43 109.599 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG22 ' C ' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -149.31 163.29 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 75.230000000000004 109.257 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.4 Cg_endo -75.03 160.01 40.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 73.129999999999995 111.026 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 67.2 m -126.73 -177.51 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 65.5 110.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.852 HD11 ' HB2' ' A' ' 137' ' ' TYR . 10.8 mt -138.03 135.61 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.019999999999996 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.57 ' HD2' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -155.72 115.98 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 62.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.723 ' CD1' HD21 ' A' ' 46' ' ' LEU . 11.4 p90 -141.88 171.09 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.450000000000003 111.014 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.625 ' O ' HD22 ' A' ' 46' ' ' LEU . 9.2 mtp180 -137.47 144.39 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.530000000000001 110.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.013 HD11 HD13 ' A' ' 87' ' ' LEU . 85.6 mt -87.94 148.17 24.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 73.420000000000002 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.583 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 88.1 m95 -140.39 162.47 35.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.5 107.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.723 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -133.3 97.91 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.120000000000005 110.007 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -68.03 124.2 22.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 61.43 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.09 110.94 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 43.140000000000001 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.32 31.21 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 54.32 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -43.17 -42.22 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 73.430000000000007 110.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' HB2' HG23 ' A' ' 74' ' ' ILE . 3.7 mt-10 -105.88 -13.65 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 73.230000000000004 110.362 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 1.8 t70 81.85 50.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -111.87 -7.97 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.209999999999994 109.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 4.9 t 78.04 38.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 71.310000000000002 109.992 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -75.29 175.14 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 110.005 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.6 pp -167.25 162.66 15.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 109.305 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' SER . 20.0 ttp-105 -154.12 135.5 14.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 72.530000000000001 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.948 HD12 ' O ' ' A' ' 65' ' ' LEU . 16.0 tp -53.74 132.53 41.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 74.400000000000006 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 67' ' ' SER . 32.6 mt -99.94 162.62 12.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -156.52 116.91 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 72.219999999999999 110.394 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -145.45 167.14 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -62.72 -168.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 71.310000000000002 109.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.07 -52.64 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t -62.37 -31.83 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 63.020000000000003 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 2.3 mm-40 -68.37 -30.08 68.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 62.32 110.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.013 HD13 HD11 ' A' ' 65' ' ' LEU . 7.4 tp -87.9 -31.71 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.299999999999997 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -23.65 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 72.120000000000005 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -54.18 -19.72 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 65.200000000000003 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -124.27 -43.77 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.010000000000005 109.337 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.87 HD12 HD21 ' A' ' 87' ' ' LEU . 10.4 mt -80.66 -179.84 7.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 53.210000000000001 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.705 ' CG ' HD12 ' A' ' 143' ' ' LEU . 67.5 m-80 -142.61 100.01 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 44.340000000000003 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.629 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.93 -58.18 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 64.420000000000002 109.291 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.28 -88.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 63.340000000000003 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -112.66 -10.3 13.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 75.329999999999998 110.387 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -71.49 -171.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 70.099999999999994 110.953 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.6 m -151.67 158.28 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.420000000000002 110.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 99' ' ' THR . 2.7 p -142.61 164.46 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 73.409999999999997 109.361 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.485 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -130.29 117.28 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 73.450000000000003 110.404 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.88 HD12 ' CE1' ' A' ' 111' ' ' TYR . 4.1 tt -102.27 125.83 49.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 62.240000000000002 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.688 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 t -121.76 135.56 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.965 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.056 HG23 HG22 ' A' ' 109' ' ' VAL . 41.0 m -128.01 142.24 51.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 73.140000000000001 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -80.98 162.08 24.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.409999999999997 109.255 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.0 ttp -59.6 -28.73 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 74.439999999999998 111.052 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.96 -9.93 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 52.25 110.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt 54.46 27.29 8.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 52.420000000000002 111.01 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.457 ' CE ' ' OG ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -108.3 -20.2 13.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 74.450000000000003 109.266 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.457 ' OG ' ' CE ' ' A' ' 107' ' ' LYS . 3.6 m -118.66 118.52 31.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 45.140000000000001 110.002 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.056 HG22 HG23 ' A' ' 102' ' ' THR . 2.3 t -144.59 141.96 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.540000000000006 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -139.31 -178.21 5.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.209999999999994 111.015 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.88 ' CE1' HD12 ' A' ' 100' ' ' LEU . 20.1 m-85 -137.91 81.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 26.9 m-85 -77.77 97.38 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 71.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.658 HD12 HG21 ' A' ' 61' ' ' ILE . 27.6 mt -58.67 153.85 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 61.119999999999997 109.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.555 HD22 ' N ' ' A' ' 114' ' ' ASN . 1.0 OUTLIER -75.39 106.07 6.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.25 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -128.79 17.51 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.7 p -61.27 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.109999999999999 108.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.443 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 3.2 m-20 -96.56 57.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 73.329999999999998 109.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -83.18 -6.02 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.200000000000003 110.392 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.56 -39.65 73.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.093 . . . . 72.030000000000001 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.6 -11.11 49.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.232 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 117' ' ' ASP . 1.0 OUTLIER -66.89 -69.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 72.340000000000003 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.906 HG22 HD13 ' A' ' 136' ' ' LEU . 1.9 t -97.36 -65.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 62.119999999999997 109.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 36.79 31.9 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 44.229999999999997 111.054 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' VAL . 88.8 p -83.61 -75.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 71.319999999999993 110.031 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.404 ' N ' ' OG ' ' A' ' 124' ' ' SER . 1.1 t0 -153.26 133.48 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 75.140000000000001 109.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.721 HG13 ' CD1' ' A' ' 2' ' ' LEU . 82.8 t -63.76 -15.96 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 62.43 109.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.19 -67.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 62.229999999999997 110.283 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.05 46.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 75.129999999999995 109.607 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 122' ' ' VAL . 4.0 t80 -78.14 -40.38 38.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 73.219999999999999 111.021 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.4 mm? -68.91 -22.58 64.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 81.9 p -89.92 -32.54 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 60.409999999999997 110.405 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.443 ' HG3' HG13 ' A' ' 122' ' ' VAL . 29.4 tpt85 -90.12 -16.4 29.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 71.030000000000001 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.522 ' CE2' ' HG2' ' A' ' 59' ' ' PRO . 61.3 t90 -85.83 -43.65 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 73.019999999999996 108.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 1.04 HG21 HD21 ' A' ' 17' ' ' LEU . 6.6 tp -55.27 -48.42 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 74.129999999999995 109.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.552 ' HA ' HG22 ' A' ' 138' ' ' ILE . 0.5 OUTLIER -75.44 -0.84 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.906 HD13 HG22 ' A' ' 122' ' ' VAL . 6.9 tt -99.64 -38.62 8.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 71.099999999999994 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.852 ' HB2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -92.87 -43.0 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 111.012 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.698 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 7.1 tp -53.93 -20.23 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 61.020000000000003 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 135' ' ' SER . 14.4 mtp180 -64.34 -8.23 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.150000000000006 110.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 137' ' ' TYR . 1.2 mm -85.13 -10.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 62.509999999999998 109.342 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.515 ' N ' ' CD1' ' A' ' 141' ' ' PHE . 2.9 m-85 -122.27 -38.13 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 111.005 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.417 ' OD1' ' NE1' ' A' ' 21' ' ' TRP . 5.7 t0 -134.74 114.99 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 74.5 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.705 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.0 mt -97.86 3.18 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 44.32 109.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -113.65 -11.29 12.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -71.43 112.16 7.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 74.420000000000002 111.017 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.74 106.37 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.965 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 65.200000000000003 111.027 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.464 ' CB ' ' CG1' ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.036 -0.357 . . . . 72.120000000000005 110.036 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm -130.8 4.58 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 75.030000000000001 111.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.758 HD13 HG13 ' A' ' 126' ' ' VAL . 13.7 tp -63.36 104.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 71.400000000000006 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.509 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 80.8 p -73.67 -170.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.409999999999997 110.429 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.5 tm? -75.91 -45.39 3.94 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 73.120000000000005 109.275 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -11.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 75.430000000000007 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 80.2 mt-10 -87.85 -33.44 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 74.400000000000006 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.798 ' CD2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -88.49 -23.32 23.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.519999999999996 111.029 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -75.43 -16.89 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.278 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.83 -22.83 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 73.150000000000006 110.333 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 30.3 mt-30 -116.33 14.28 15.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 74.420000000000002 110.255 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.766 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -61.15 -45.39 95.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 71.450000000000003 109.285 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -74.95 -0.2 9.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 51.140000000000001 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' A' ' 10' ' ' GLN . 7.6 m-20 -93.78 -33.03 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.897 ' CG1' HD13 ' A' ' 134' ' ' ILE . 69.7 t -78.43 -44.57 26.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 72.109999999999999 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 13.0 ptt85 -66.02 -19.23 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 73.530000000000001 110.32 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 19' ' ' THR . 12.7 t -74.32 -56.96 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 50.229999999999997 109.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.965 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.6 pp -66.69 -22.67 66.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 71.129999999999995 109.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.751 HD12 HD22 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -58.57 -22.32 55.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 72.010000000000005 109.292 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 16' ' ' SER . 61.9 p -66.84 -8.51 29.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.010000000000005 110.44 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 13.6 mtpp -81.62 -18.68 43.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 70.299999999999997 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CZ2' HG11 ' A' ' 38' ' ' VAL . 1.3 t90 -75.58 118.64 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 108.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.5 -18.66 32.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 50.32 109.266 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -74.02 -17.41 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 38' ' ' VAL . 25.0 t -80.89 117.43 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.22 -30.09 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 63.399999999999999 110.279 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.13 135.99 49.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.530000000000001 110.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.436 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.7 mm -119.62 107.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 65.129999999999995 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' NE2' ' OE1' ' A' ' 35' ' ' GLN . 8.0 tt0 -128.07 147.95 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 61.039999999999999 110.318 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 142.96 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 52.32 109.292 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 34' ' ' LEU . 16.8 m -111.14 171.89 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 72.230000000000004 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.51 36.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 60.130000000000003 110.263 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 178.66 39.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.806 ' O ' HD12 ' A' ' 34' ' ' LEU . . . 142.81 -125.43 2.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 65.239999999999995 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -168.69 151.27 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 63.130000000000003 109.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 1.9 tm0? -130.56 108.02 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 110.304 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -109.68 170.89 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 62.119999999999997 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.636 ' OD1' HD21 ' A' ' 45' ' ' LEU . 8.7 t70 -128.4 95.53 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 72.019999999999996 109.27 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.657 HG11 ' CZ2' ' A' ' 21' ' ' TRP . 2.3 t -92.25 136.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.567 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -95.31 79.21 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.298 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.976 ' CD1' HD12 ' A' ' 90' ' ' ILE . 9.6 mt -53.46 -35.37 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 64.439999999999998 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 11.1 ttmt -149.08 158.23 44.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.329999999999998 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -58.05 -16.33 12.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 110.396 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.73 25.06 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.420000000000002 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' LYS . 17.4 m -140.54 133.67 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 43.009999999999998 110.43 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.988 HD12 ' N ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -119.22 125.15 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.439999999999998 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.988 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.1 tm? -102.82 97.4 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 70.420000000000002 109.336 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CG ' ' NE2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -74.24 100.61 3.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.349999999999994 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.668 HD12 HD13 ' A' ' 36' ' ' LEU . 2.3 tm? -93.68 123.31 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 62.420000000000002 109.306 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.56 ' NE2' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -128.29 117.73 21.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 75.230000000000004 109.628 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.531 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 18.9 tt -89.89 144.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CZ ' ' OG ' ' A' ' 60' ' ' SER . 4.7 p90 -160.35 150.99 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 74.519999999999996 111.006 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -104.75 156.97 17.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 110.985 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' C ' ' CE1' ' A' ' 52' ' ' TYR . 4.7 t0 -117.26 131.29 56.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.530000000000001 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.44 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -88.18 3.54 48.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.329999999999998 109.606 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.5 t -100.26 -26.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.510000000000005 109.285 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' O ' HG22 ' A' ' 58' ' ' VAL . 51.4 m-85 -110.45 -15.54 13.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 70.040000000000006 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 60.84 40.93 15.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 63.43 109.581 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.695 HG11 HG22 ' A' ' 118' ' ' THR . 0.0 OUTLIER -151.89 164.19 21.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 61.119999999999997 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.545 ' OG ' ' CZ ' ' A' ' 51' ' ' TYR . 23.1 t -142.62 -179.95 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 109.961 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.964 HD12 ' CD2' ' A' ' 137' ' ' TYR . 68.3 mt -148.7 143.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 64.129999999999995 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -152.01 136.54 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 109.309 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.701 ' CD2' HD21 ' A' ' 46' ' ' LEU . 55.7 p90 -152.42 165.86 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 72.530000000000001 111.02 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.617 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -143.09 112.86 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 63.329999999999998 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 79' ' ' LEU . 75.2 mt -48.03 149.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 43.340000000000003 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.679 ' CE3' HD13 ' A' ' 77' ' ' LEU . 98.5 m95 -136.01 151.73 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 73.439999999999998 107.984 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.576 ' HB2' HD11 ' A' ' 80' ' ' LEU . 29.5 t -122.68 96.92 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 64.010000000000005 110.033 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -65.82 123.67 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 64.230000000000004 109.296 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.53 113.12 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 109.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.49 36.76 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 63.539999999999999 110.39 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.44 -40.08 64.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 71.310000000000002 110.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.62 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -107.28 -2.46 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 74.400000000000006 110.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.85 49.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 72.219999999999999 109.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -115.4 -9.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 45.420000000000002 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.87 42.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 74.409999999999997 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.788 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -80.56 175.54 10.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 110.013 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD13 ' CE3' ' A' ' 66' ' ' TRP . 4.6 pp -164.42 169.04 17.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.84 126.42 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.439999999999998 110.306 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 5.8 tp -60.34 125.04 22.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 63.25 109.312 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 67' ' ' SER . 38.2 mt -95.15 162.62 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 65.439999999999998 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.422 HG23 HG11 ' A' ' 109' ' ' VAL . 2.3 m -152.19 86.19 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 74.450000000000003 110.466 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.827 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -114.26 167.54 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 74.310000000000002 109.321 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 m -61.93 -170.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.006 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.84 -23.36 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.099999999999994 109.256 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 m -64.0 -33.54 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 64.409999999999997 109.986 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.827 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.0 mt-10 -89.81 -41.22 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.120000000000005 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.87 -40.14 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 52.130000000000003 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -66.22 -25.8 67.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 73.120000000000005 110.274 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -50.75 -21.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 43.43 110.005 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.976 HD12 ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 -41.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.120000000000005 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 16.0 mt -82.49 -179.59 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 72.540000000000006 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.579 ' CG ' HD12 ' A' ' 143' ' ' LEU . 70.3 m-80 -139.8 103.09 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.230000000000004 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.55 -58.17 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 71.409999999999997 109.333 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.31 -81.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 65.230000000000004 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.9 t -112.91 -21.32 11.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 74.299999999999997 110.383 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.42 -171.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.985 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 m -152.18 165.67 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.310000000000002 110.001 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 99' ' ' THR . 5.9 p -140.88 167.96 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.25 109.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -137.04 110.33 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 52.030000000000001 110.419 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.877 HD21 ' CG1' ' A' ' 109' ' ' VAL . 3.7 tt -91.26 129.18 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.806 ' N ' HD23 ' A' ' 100' ' ' LEU . 16.8 t -122.6 149.75 43.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 62.25 110.003 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.662 ' OG1' HG13 ' A' ' 109' ' ' VAL . 1.5 m -147.31 162.51 38.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 73.549999999999997 110.349 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.23 169.13 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 71.129999999999995 109.279 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.9 ttp -56.39 -39.61 73.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 73.120000000000005 110.951 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.86 -20.02 7.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 64.209999999999994 110.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.5 mtt 57.02 19.23 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.109999999999999 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -38.76 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 62.219999999999999 109.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -94.78 141.77 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 71.129999999999995 110.04 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.877 ' CG1' HD21 ' A' ' 100' ' ' LEU . 13.0 t -148.55 167.33 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 72.319999999999993 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 109' ' ' VAL . 2.3 m-85 -157.93 166.04 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 73.010000000000005 110.993 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.868 ' CE1' HD12 ' A' ' 100' ' ' LEU . 42.4 m-85 -134.21 79.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 62' ' ' LYS . 96.3 m-85 -75.02 117.77 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 75.219999999999999 111.038 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.568 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 5.0 mt -71.07 136.44 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 63.149999999999999 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.464 ' N ' HD22 ' A' ' 114' ' ' ASN . 1.0 OUTLIER -56.53 111.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.230000000000004 109.288 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.497 ' CB ' ' OH ' ' A' ' 137' ' ' TYR . 4.7 p-10 -139.22 18.32 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 62.310000000000002 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 7.5 p -52.81 -46.86 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 61.030000000000001 108.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.86 89.3 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.307 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.695 HG22 HG11 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -81.5 -32.12 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 74.519999999999996 110.394 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -61.85 -26.45 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.349 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.46 -12.07 47.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 55.130000000000003 109.281 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -88.49 -68.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 75.400000000000006 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.818 ' HB ' HD22 ' A' ' 136' ' ' LEU . 7.4 p -99.62 -53.7 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 64.510000000000005 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.551 ' N ' HG13 ' A' ' 122' ' ' VAL . . . 36.23 40.01 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.481 1.113 . . . . 24.329999999999998 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.4 m -73.84 -80.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 73.129999999999995 110.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -161.57 147.01 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 72.310000000000002 109.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.758 HG13 HD13 ' A' ' 2' ' ' LEU . 18.7 t -67.7 -12.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 61.439999999999998 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.406 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 38.5 mt-10 -59.12 -67.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 70.310000000000002 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -119.83 46.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.099999999999994 109.592 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 122' ' ' VAL . 4.1 t80 -71.46 -37.81 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 64.319999999999993 111.047 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.798 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.2 mm? -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 70.540000000000006 109.32 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.8 p -88.12 -36.8 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.299999999999997 110.401 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -82.49 -16.2 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 71.209999999999994 110.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.61 ' NE1' ' CE1' ' A' ' 137' ' ' TYR . 75.4 t90 -87.11 -45.95 10.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 74.329999999999998 107.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.897 HD13 ' CG1' ' A' ' 14' ' ' VAL . 5.6 tp -56.39 -49.75 75.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 73.230000000000004 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 30.7 t -67.12 -4.39 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 54.329999999999998 109.945 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.818 HD22 ' HB ' ' A' ' 122' ' ' VAL . 1.4 tp -93.46 -54.47 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 72.340000000000003 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.964 ' CD2' HD12 ' A' ' 61' ' ' ILE . 9.7 m-85 -78.92 -46.46 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 134' ' ' ILE . 5.4 tp -49.36 -28.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 74.329999999999998 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 135' ' ' SER . 27.0 mtp180 -58.32 -36.91 74.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' ASN . 42.0 mt -64.49 -10.26 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 55.140000000000001 109.341 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.59 ' CE2' HD23 ' A' ' 48' ' ' LEU . 5.0 m-85 -113.73 -31.73 6.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 111.021 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.562 ' OD2' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.49 110.28 4.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 35.350000000000001 109.302 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.579 HD12 ' CG ' ' A' ' 92' ' ' ASN . 2.9 mt -92.64 3.64 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 71.530000000000001 109.264 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -106.46 -23.56 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 61.32 109.336 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 0.8 OUTLIER -92.14 109.44 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 110.975 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.2 98.56 51.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 70.409999999999997 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.965 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 64.420000000000002 110.992 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.636 ' H2 ' HG12 ' A' ' 58' ' ' VAL . 90.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.993 -0.373 . . . . 63.210000000000001 109.993 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt -130.81 7.52 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.099999999999994 110.983 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.764 HD11 ' CA ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -55.84 145.3 24.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.312 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.513 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 32.4 p -65.91 -177.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 43.340000000000003 110.374 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.768 HD23 ' CD1' ' A' ' 52' ' ' TYR . 1.5 tm? -77.38 -44.07 2.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.099999999999994 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.5 Cg_endo -74.95 -9.38 20.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 74.200000000000003 111.035 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CG ' ' OG1' ' A' ' 3' ' ' THR . 27.8 mm-40 -88.67 -36.71 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 65.510000000000005 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.764 ' CA ' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.33 -30.68 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 110.984 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.564 ' OD1' ' CE1' ' A' ' 7' ' ' TYR . 10.9 m-20 -73.17 -15.06 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 54.539999999999999 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -68.94 -23.14 64.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 73.340000000000003 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.74 18.61 15.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.345 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.579 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -64.12 -47.41 79.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 64.140000000000001 109.318 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.03 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 54.100000000000001 111.002 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.7 m-20 -91.11 -35.85 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 64.150000000000006 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.84 ' CG1' HD13 ' A' ' 134' ' ' ILE . 24.3 t -67.47 -54.83 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.916 ' O ' HG23 ' A' ' 19' ' ' THR . 27.2 ptt85 -64.83 -32.28 73.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -54.14 -42.43 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 71.329999999999998 110.061 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.918 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.5 pp -88.1 -32.66 18.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 74.299999999999997 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.918 ' N ' HD12 ' A' ' 17' ' ' LEU . 8.3 tp -57.2 -18.85 17.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 54.340000000000003 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 15' ' ' ARG . 68.3 p -59.38 -19.6 48.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 44.43 110.397 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -72.74 -24.39 60.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.200000000000003 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.699 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.7 t90 -57.43 126.83 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 107.988 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.99 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.400000000000006 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HB2' HG13 ' A' ' 38' ' ' VAL . 19.7 mtpp -81.13 -24.62 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.349999999999994 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.604 HG23 ' CE3' ' A' ' 21' ' ' TRP . 13.5 t -67.05 113.85 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 65.140000000000001 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.47 -36.76 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 62.32 110.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.09 147.35 49.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 74.019999999999996 110.355 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' CD1' HD23 ' A' ' 36' ' ' LEU . 1.8 mm -132.47 129.75 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' O ' HD23 ' A' ' 34' ' ' LEU . 6.9 tt0 -157.13 139.48 14.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 72.129999999999995 110.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' HA ' HD23 ' A' ' 34' ' ' LEU . 1.4 p-10 -102.82 154.61 19.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -130.43 172.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 62.049999999999997 109.288 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 2.9 pt20 -70.91 95.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 72.209999999999994 110.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER 76.33 52.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 74.519999999999996 109.327 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.1 -164.98 38.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.085 . . . . 62.32 111.029 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -159.03 142.03 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 75.400000000000006 109.317 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.9 tm0? -127.68 113.98 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 72.329999999999998 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.795 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.84 164.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.430000000000007 109.304 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -119.97 95.34 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.304 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' CH2' ' A' ' 21' ' ' TRP . 11.9 t -84.75 126.99 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 63.25 109.276 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -90.9 84.79 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 64.329999999999998 110.341 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.846 HD13 ' CB ' ' A' ' 46' ' ' LEU . 7.4 mp -66.62 -40.33 88.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 44' ' ' THR . 15.5 ttmt -139.61 154.16 47.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 62.32 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -59.48 -17.81 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 64.209999999999994 110.43 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.42 20.28 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.450000000000003 109.295 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 66' ' ' TRP . 18.0 m -137.87 144.71 41.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 70.329999999999998 110.424 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -132.18 136.18 46.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.338 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.846 ' CB ' HD13 ' A' ' 40' ' ' LEU . 2.2 tm? -114.5 102.3 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.150000000000006 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.28 104.09 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 71.049999999999997 110.265 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD12 ' CE2' ' A' ' 141' ' ' PHE . 0.5 OUTLIER -94.98 133.43 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 75.120000000000005 109.295 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.38 106.29 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.633 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 34' ' ' LEU . 9.4 tt -85.0 135.24 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 109.329 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.589 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 22.2 p90 -150.27 135.31 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 74.019999999999996 111.042 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.768 ' CD1' HD23 ' A' ' 4' ' ' LEU . 40.7 t80 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 111.002 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.51 115.67 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.304 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -81.47 3.63 24.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 65.340000000000003 109.605 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.1 t -86.49 -40.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.23 -7.27 10.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 52' ' ' TYR . 53.9 m-70 65.64 45.84 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.592 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.636 HG12 ' H2 ' ' A' ' 0' ' ' SER . 0.1 OUTLIER -144.78 157.95 53.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 54.329999999999998 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.4 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.769 . . . . 73.120000000000005 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.589 ' OG ' ' CE1' ' A' ' 51' ' ' TYR . 22.9 t -117.99 170.74 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.519999999999996 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' ' CZ2' ' A' ' 133' ' ' TRP . 13.2 mt -138.55 124.12 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 73.439999999999998 109.274 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -137.99 120.47 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 62.539999999999999 109.314 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.689 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 42.3 p90 -130.17 148.01 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.329999999999998 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.6 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 10.4 mtm180 -123.99 118.37 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 110.292 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 79' ' ' LEU . 77.6 mt -63.21 142.56 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 73.540000000000006 109.29 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 64' ' ' ARG . 96.0 m95 -135.23 151.77 50.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 72.010000000000005 107.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.784 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -123.91 97.6 5.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 53.530000000000001 110.005 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.83 123.08 19.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -120.92 113.5 20.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -108.47 37.73 2.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 110.403 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.25 -42.85 52.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 52.399999999999999 110.276 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' A' ' 74' ' ' ILE . 2.9 mt-10 -102.84 -8.41 20.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.420000000000002 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 2.4 t70 81.62 43.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 73.030000000000001 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.738 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -111.76 11.21 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 64.209999999999994 109.294 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.453 ' H ' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER 51.91 40.05 27.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.010000000000005 109.993 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.674 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -69.51 -178.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 52.520000000000003 109.98 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.49 163.03 6.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 64.310000000000002 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -155.23 130.88 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.140000000000001 110.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.722 HD21 ' HB ' ' A' ' 109' ' ' VAL . 7.3 tp -57.15 126.66 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 67' ' ' SER . 26.3 mt -93.17 145.74 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 75.340000000000003 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 m -135.99 94.72 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 110.404 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.842 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.33 167.18 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 73.310000000000002 109.274 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 p -72.83 -172.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 63.299999999999997 109.988 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' GLU . 5.1 t70 -68.92 -53.8 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 72.530000000000001 109.317 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m -38.81 -30.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 73.340000000000003 110.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 82' ' ' LEU . 2.1 mt-10 -89.4 -45.73 9.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 72.129999999999995 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.483 ' CD1' HD11 ' A' ' 65' ' ' LEU . 48.3 tp -58.96 -61.16 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 61.240000000000002 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' O ' ' CD ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -49.25 -23.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 62.539999999999999 110.303 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.8 t -51.13 -38.9 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 64.310000000000002 109.995 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.54 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.3 pt -108.03 -34.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 63.450000000000003 109.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.689 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 5.8 mt -77.14 178.82 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 53.200000000000003 109.322 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 140' ' ' ILE . 70.3 m-80 -141.57 91.21 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.510000000000005 109.324 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.636 ' CD2' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -91.74 -57.98 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.25 109.343 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.3 -79.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 55.210000000000001 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 5.0 t -112.86 -18.44 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 53.119999999999997 110.388 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.34 -171.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.200000000000003 110.96 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -149.29 167.23 26.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 72.140000000000001 110.003 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 99' ' ' THR . 14.4 p -152.49 165.41 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 62.439999999999998 109.266 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.2 m -143.17 130.43 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 73.439999999999998 110.368 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.795 HD11 ' CG1' ' A' ' 109' ' ' VAL . 10.6 tp -91.0 128.67 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 74.010000000000005 109.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.454 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 31.5 t -123.39 150.07 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 73.209999999999994 109.956 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.631 ' OG1' HG13 ' A' ' 109' ' ' VAL . 6.6 m -152.36 155.6 37.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 73.430000000000007 110.364 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.16 161.36 15.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 74.120000000000005 109.336 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.34 -34.02 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 73.420000000000002 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -23.09 63.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 110.342 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.2 mtp 55.08 22.33 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 55.409999999999997 111.027 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.87 -37.48 11.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 62.229999999999997 109.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 102' ' ' THR . 12.0 t -115.39 153.22 31.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 72.409999999999997 109.998 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.795 ' CG1' HD11 ' A' ' 100' ' ' LEU . 67.4 t -148.26 158.14 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 71.409999999999997 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 101' ' ' SER . 1.1 p90 -160.49 146.07 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 70.310000000000002 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.788 ' HE1' HD22 ' A' ' 100' ' ' LEU . 74.9 m-85 -102.31 122.54 44.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 75.439999999999998 110.988 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.416 ' HE1' ' HH ' ' A' ' 51' ' ' TYR . 16.0 m-85 -100.52 119.97 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 73.040000000000006 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.03 131.5 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 109.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.91 113.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.420000000000002 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 7.3 t30 -142.93 47.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 72.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 80.2 m -71.52 -53.72 12.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 108.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.437 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 0.4 OUTLIER -134.05 95.37 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 60.32 109.299 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.406 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . 53.1 m -69.29 -13.43 62.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 71.310000000000002 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.66 -17.76 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 61.329999999999998 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.54 43.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 62.009999999999998 109.297 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.927 ' OD1' HG23 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -95.28 -66.17 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 136' ' ' LEU . 2.8 t -74.03 -66.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.143 . . . . 62.420000000000002 109.28 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' VAL . . . 34.15 35.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 71.129999999999995 111.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' VAL . 65.4 m -73.97 -80.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 64.109999999999999 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -162.86 130.74 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 53.130000000000003 109.269 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.488 HG13 ' HB2' ' A' ' 2' ' ' LEU . 33.0 t -57.3 -18.11 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.89 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 73.420000000000002 110.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.4 47.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 62.32 109.553 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 133' ' ' TRP . 2.1 t80 -73.33 -35.46 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 110.965 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.763 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.5 mm? -68.82 -24.89 64.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 72.540000000000006 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.6 p -90.03 -32.69 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 63.140000000000001 110.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CD ' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -87.84 -17.13 32.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 63.200000000000003 110.295 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.64 ' CZ2' ' CD1' ' A' ' 61' ' ' ILE . 79.9 t90 -86.88 -44.29 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.299999999999997 107.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.84 HD13 ' CG1' ' A' ' 14' ' ' VAL . 7.1 tp -58.18 -49.03 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 73.540000000000006 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 139' ' ' ARG . 2.4 t -72.87 -2.89 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 61.32 109.989 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 122' ' ' VAL . 0.8 OUTLIER -97.83 -39.93 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 63.439999999999998 109.292 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.651 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -91.89 -50.38 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 111.001 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.699 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 7.0 tp -42.57 -28.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 73.439999999999998 109.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 135' ' ' SER . 76.4 mtt-85 -62.05 -46.35 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.109999999999999 110.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.5 mt -50.74 -20.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 63.130000000000003 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.692 ' CE2' HD12 ' A' ' 48' ' ' LEU . 7.5 m-85 -104.03 -34.53 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.450000000000003 111.013 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 145' ' ' PHE . 48.2 t0 -148.67 100.38 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.109999999999999 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 139' ' ' ARG . 12.5 mt -82.84 3.16 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 74.099999999999994 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.73 -22.23 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 75.299999999999997 109.33 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.455 ' N ' ' OD1' ' A' ' 142' ' ' ASP . 50.2 t80 -80.89 109.54 15.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 110.998 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 103.44 52.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 61.039999999999999 109.308 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.74 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 75.230000000000004 110.968 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.713 ' OG ' HG13 ' A' ' 58' ' ' VAL . 53.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.963 -0.384 . . . . 75.230000000000004 109.963 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ptp -117.57 -11.98 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 65.030000000000001 110.952 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.886 HD21 ' HB2' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -50.12 101.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.27 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.495 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 55.4 p -71.88 -165.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.2 tm? -76.71 -45.72 3.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -74.96 -9.29 20.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 61.25 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' OE1' HG21 ' A' ' 126' ' ' VAL . 24.9 mt-10 -88.54 -36.0 16.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 110.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.886 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.66 -33.32 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 110.988 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.548 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 12.0 t-20 -67.59 -21.11 65.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 75.25 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -75.19 -24.09 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.5 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 30.3 mt-30 -109.46 13.91 23.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 61.100000000000001 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.701 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -62.14 -45.18 90.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 64.450000000000003 109.3 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.4 Cg_endo -74.99 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 63.420000000000002 110.986 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.9 m-20 -91.01 -34.21 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 130' ' ' LEU . 39.0 t -77.07 -51.84 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 54.310000000000002 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -62.97 -18.31 63.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 65.109999999999999 110.294 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 19' ' ' THR . 12.6 t -76.59 -45.38 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 70.239999999999995 109.986 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.878 HD13 ' HB3' ' A' ' 147' ' ' PRO . 1.7 pp -77.6 -25.89 50.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 73.019999999999996 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 HD11 ' A' ' 134' ' ' ILE . 1.8 mm? -57.96 -17.8 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 16' ' ' SER . 81.9 p -63.73 -14.34 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 110.392 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.53 -18.0 49.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 74.209999999999994 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.641 ' CZ3' HD11 ' A' ' 138' ' ' ILE . 1.7 t90 -73.94 124.39 26.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 71.150000000000006 108.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.52 -15.7 28.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -79.43 -15.05 58.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 42.310000000000002 109.303 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.568 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 39.2 t -80.52 123.62 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 32.329999999999998 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.95 -22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 70.340000000000003 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 6.1 ttt85 -126.77 131.21 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.219999999999999 110.231 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -125.07 109.1 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.648 ' O ' HD23 ' A' ' 34' ' ' LEU . 17.6 tt0 -142.82 153.87 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 74.209999999999994 110.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -115.39 162.48 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 33' ' ' GLY . 2.3 m -139.36 159.86 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.239999999999995 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -55.63 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.119999999999997 110.323 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER 78.22 53.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 165.74 -172.88 41.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 33.340000000000003 110.994 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -154.01 146.66 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 53.409999999999997 109.288 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' C ' ' NE2' ' A' ' 35' ' ' GLN . 2.2 tm0? -127.54 115.35 18.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 60.439999999999998 110.321 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.803 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.6 150.53 40.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 75.299999999999997 109.302 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 7.2 m-20 -101.64 95.33 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 70.239999999999995 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 t -82.23 134.28 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 54.299999999999997 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.17 94.0 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.01 HD13 HD12 ' A' ' 90' ' ' ILE . 16.9 mt -71.35 -49.29 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 72.25 109.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.8 ttmt -135.57 158.01 45.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.239999999999995 109.289 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.4 ' HA ' ' NE ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -56.56 -19.98 18.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 71.230000000000004 110.436 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -128.56 24.22 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 71.219999999999999 109.246 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 66' ' ' TRP . 11.7 m -141.03 134.48 29.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 50.100000000000001 110.399 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.858 HD22 ' H ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -119.76 146.39 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 109.288 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.959 HD21 ' CD1' ' A' ' 63' ' ' PHE . 2.2 tm? -130.33 106.19 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.049999999999997 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.773 ' HG3' HD11 ' A' ' 45' ' ' LEU . 12.7 mt-10 -84.68 114.87 22.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 73.049999999999997 110.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.613 HD12 ' CE2' ' A' ' 141' ' ' PHE . 1.1 tt -102.78 139.91 37.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 73.549999999999997 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 1.2 m170 -133.25 129.89 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 63.439999999999998 109.594 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 11.5 tt -107.18 133.48 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 109.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.674 ' CE1' ' CB ' ' A' ' 60' ' ' SER . 13.0 p90 -152.61 129.56 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 110.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.68 ' CD1' HD23 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.9 155.35 32.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.969 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.888 ' OD1' HG23 ' A' ' 55' ' ' VAL . 51.5 t0 -129.53 129.66 44.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 70.299999999999997 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 0.6 OUTLIER -81.95 3.76 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 109.572 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.888 HG23 ' OD1' ' A' ' 53' ' ' ASP . 75.3 t -68.1 -53.47 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 74.150000000000006 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.696 ' CD1' HG12 ' A' ' 55' ' ' VAL . 34.7 m-85 -117.81 8.29 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 111.034 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 58.13 50.6 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 71.409999999999997 109.565 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.713 HG13 ' OG ' ' A' ' 0' ' ' SER . 0.0 OUTLIER -147.32 167.47 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 62.229999999999997 109.316 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HG2' ' CE2' ' A' ' 133' ' ' TRP . 18.2 Cg_endo -74.99 165.92 30.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 62.439999999999998 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.674 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 1.3 m -129.63 -179.71 5.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 61.310000000000002 110.006 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 137' ' ' TYR . 4.3 mt -150.66 134.23 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 109.303 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.571 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 10.2 ttpt -156.42 116.63 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 62.32 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.959 ' CD1' HD21 ' A' ' 46' ' ' LEU . 22.6 p90 -135.84 173.84 11.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.25 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.662 ' O ' HD22 ' A' ' 46' ' ' LEU . 6.7 mtp180 -140.3 150.33 43.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 72.409999999999997 110.323 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.983 HD11 HD13 ' A' ' 87' ' ' LEU . 78.4 mt -91.49 144.62 25.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 75.049999999999997 109.313 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CZ2' ' NH2' ' A' ' 64' ' ' ARG . 87.3 m95 -136.75 149.75 48.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 107.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.838 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -124.19 97.47 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 60.219999999999999 110.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -67.07 122.98 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.304 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.96 114.04 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 71.450000000000003 109.266 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.78 34.66 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 110.392 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -55.63 -36.39 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 75.099999999999994 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.664 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.8 mt-10 -108.27 -1.57 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 72.040000000000006 110.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.46 47.41 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.324 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.737 ' H ' HD13 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.98 -7.36 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 70.329999999999998 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.8 t 80.83 48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 72.430000000000007 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.696 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -83.7 176.23 9.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 61.240000000000002 109.992 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.508 ' CD1' ' CE3' ' A' ' 66' ' ' TRP . 3.7 pp -171.7 163.38 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.56 137.08 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 110.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 65' ' ' LEU . 11.6 tp -55.13 131.23 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 67' ' ' SER . 31.1 mt -96.84 162.57 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 63.329999999999998 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -154.79 107.27 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.450000000000003 110.413 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -141.33 167.18 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 72.129999999999995 109.293 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -56.54 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 50.420000000000002 109.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -45.45 15.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 73.519999999999996 109.296 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -67.17 -24.27 65.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.329999999999998 110.045 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.5 mt-10 -79.75 -33.55 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 63.439999999999998 110.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.983 HD13 HD11 ' A' ' 65' ' ' LEU . 2.5 tp -84.2 -28.46 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 72.120000000000005 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.34 -19.24 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 61.299999999999997 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -54.64 -24.76 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.040000000000006 109.991 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.01 HD12 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -115.67 -37.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 70.409999999999997 109.316 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 63' ' ' PHE . 66.2 mt -85.2 -179.82 7.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 61.009999999999998 109.314 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 140' ' ' ILE . 67.6 m-80 -143.87 97.36 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -92.53 -58.03 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 53.439999999999998 109.312 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.57 -81.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.477 1.111 . . . . 64.140000000000001 111.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 6.9 t -113.27 -21.74 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 54.539999999999999 110.396 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 140' ' ' ILE . 12.4 m-85 -66.08 -170.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 63.219999999999999 110.997 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.3 m -153.1 170.31 20.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 70.329999999999998 110.014 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.536 HG22 ' N ' ' A' ' 99' ' ' THR . 2.6 p -153.67 166.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.536 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.1 m -135.58 124.32 23.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 110.408 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.897 HD13 ' CD1' ' A' ' 111' ' ' TYR . 13.7 tp -98.45 122.18 41.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.200000000000003 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -112.86 128.4 56.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 54.32 109.983 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 106' ' ' MET . 3.3 m -109.59 156.16 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 110.438 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -94.44 164.06 13.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 50.520000000000003 109.327 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.67 -25.09 59.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 73.329999999999998 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.84 -16.01 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 73.120000000000005 110.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.47 ' HA ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER 59.28 16.91 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 74.310000000000002 110.99 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -14.68 17.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.150000000000006 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.1 p -128.94 128.65 44.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.519999999999996 110.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.458 ' HB ' HG23 ' A' ' 102' ' ' THR . 3.7 p -147.64 151.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.140000000000001 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.835 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -138.5 161.23 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 111.038 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.897 ' CD1' HD13 ' A' ' 100' ' ' LEU . 29.9 m-85 -107.49 80.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 75.209999999999994 110.953 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 62' ' ' LYS . 71.4 m-85 -67.66 99.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 110.956 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.08 142.33 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 109.28 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.87 107.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 61.100000000000001 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 118' ' ' THR . 19.6 p-10 -107.08 -17.9 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 74.349999999999994 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.5 p -52.22 -28.07 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 71.150000000000006 108.287 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.28 36.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.340000000000003 109.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.46 HG22 ' OH ' ' A' ' 129' ' ' TYR . 1.1 m -83.0 -63.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 110.405 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -21.7 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 75.430000000000007 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.08 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.989 ' HB3' HD21 ' A' ' 136' ' ' LEU . 92.4 m-20 -92.54 -69.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.319999999999993 109.275 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.966 ' CG2' HD22 ' A' ' 136' ' ' LEU . 66.3 t -56.73 -65.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 74.5 109.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 131.94 -140.45 11.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 41.140000000000001 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 t -122.11 -2.22 9.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 61.43 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.0 89.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.539 HG23 HD12 ' A' ' 2' ' ' LEU . 2.4 p -75.43 -8.19 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 60.229999999999997 109.287 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.52 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 65.239999999999995 110.291 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -112.91 47.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 72.340000000000003 109.578 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.897 ' CD1' HG11 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -78.84 -34.82 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 73.219999999999999 110.984 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.908 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.4 mm? -78.97 -20.09 50.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.530000000000001 109.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.2 p -88.44 -32.7 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 64.340000000000003 110.353 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.71 ' NE ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -89.62 -49.73 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 72.230000000000004 110.307 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.529 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 82.9 t90 -44.98 -49.27 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 74.400000000000006 107.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.852 HG21 HD21 ' A' ' 17' ' ' LEU . 6.1 tp -53.37 -53.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.340000000000003 109.305 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.543 ' HA ' HG22 ' A' ' 138' ' ' ILE . 1.7 t -67.92 -1.38 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 54.009999999999998 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.989 HD21 ' HB3' ' A' ' 121' ' ' ASN . 2.7 tp -93.44 -54.3 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 61.140000000000001 109.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.775 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -82.99 -44.66 15.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 74.030000000000001 110.981 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 134' ' ' ILE . 6.4 tp -47.97 -26.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.219999999999999 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -61.1 -39.66 90.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 110.329 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.592 HD11 ' CD2' ' A' ' 96' ' ' PHE . 74.4 mt -61.39 -11.93 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 54.43 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.613 ' CE2' HD12 ' A' ' 48' ' ' LEU . 76.0 m-85 -113.02 -30.28 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 63.030000000000001 110.996 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -148.62 104.5 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 72.319999999999993 109.337 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.97 2.98 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -111.86 -18.25 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 62.329999999999998 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.422 ' CB ' ' HB2' ' A' ' 142' ' ' ASP . 68.5 t80 -76.24 111.89 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.51 115.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.049999999999997 109.328 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.878 ' HB3' HD13 ' A' ' 17' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 72.319999999999993 110.969 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 2' ' ' LEU . 9.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.003 -0.369 . . . . 71.329999999999998 110.003 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.83 25.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 55.350000000000001 110.996 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 7' ' ' TYR . 14.7 tp -74.71 109.72 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 52.439999999999998 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.497 ' CB ' ' HD2' ' A' ' 5' ' ' PRO . 61.4 p -76.68 -171.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 110.398 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -76.03 -45.6 3.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 71.129999999999995 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.3 Cg_endo -75.0 -8.15 19.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 61.420000000000002 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 2' ' ' LEU . 29.3 mt-10 -88.17 -39.15 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.450000000000003 110.336 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.707 ' HB2' HD21 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -85.96 -36.93 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.540000000000006 110.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 t-20 -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 73.299999999999997 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.35 -32.21 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 72.140000000000001 110.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 1.5 mp0 -103.57 7.22 37.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 61.350000000000001 110.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.627 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -55.29 -45.46 99.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.271 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.3 Cg_endo -75.0 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 75.129999999999995 110.99 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -92.58 -34.7 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 72.230000000000004 109.286 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.952 ' O ' HD23 ' A' ' 18' ' ' LEU . 23.3 t -75.43 -48.43 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 71.120000000000005 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -62.65 -23.88 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.140000000000001 110.267 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 19' ' ' THR . 7.3 t -67.16 -60.76 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 61.520000000000003 110.028 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.977 HD13 ' CB ' ' A' ' 147' ' ' PRO . 2.9 pp -62.82 -23.67 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 72.319999999999993 109.276 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.952 HD23 ' O ' ' A' ' 14' ' ' VAL . 1.3 mm? -52.3 -23.3 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 53.350000000000001 109.293 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 16' ' ' SER . 75.8 p -62.26 -34.76 77.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 60.409999999999997 110.446 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 11.0 mmmt -57.89 -17.57 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 71.409999999999997 109.339 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 1.041 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.7 t90 -74.32 106.82 6.13 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.01 -1.107 . . . . 74.430000000000007 108.01 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.04 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 43.310000000000002 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.718 ' HB2' HG13 ' A' ' 38' ' ' VAL . 16.1 mtpt -72.39 -25.47 61.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 74.430000000000007 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' A' ' 21' ' ' TRP . 11.7 t -71.57 118.74 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 64.510000000000005 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -108.29 -23.44 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -135.76 131.51 35.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 70.540000000000006 110.336 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -117.18 118.94 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 70.319999999999993 109.348 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.827 ' O ' HD23 ' A' ' 34' ' ' LEU . 18.0 tt0 -134.5 158.02 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.310000000000002 110.259 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -121.32 155.43 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 71.540000000000006 109.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' C ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -133.1 167.63 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 64.25 109.306 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 5.2 tt0 -61.23 92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 74.530000000000001 110.333 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.755 ' OD1' HD11 ' A' ' 4' ' ' LEU . 6.0 t70 76.09 50.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 65.230000000000004 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' C ' HG23 ' A' ' 30' ' ' VAL . . . 174.12 -165.09 36.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 70.25 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -158.48 153.31 24.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 73.540000000000006 109.271 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.735 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.4 tm0? -137.99 105.48 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.314 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.838 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -100.62 167.52 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 43.329999999999998 109.289 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.35 94.94 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.32 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.041 HG21 ' CH2' ' A' ' 21' ' ' TRP . 26.6 t -91.34 111.53 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 65.099999999999994 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.604 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -85.8 85.95 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 35.229999999999997 110.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.772 HD12 HG12 ' A' ' 38' ' ' VAL . 7.5 mp -63.65 -39.08 93.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 71.150000000000006 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -142.71 154.75 44.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 73.349999999999994 109.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -61.6 -14.46 30.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 71.409999999999997 110.393 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -123.82 11.32 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 64.040000000000006 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.1 m -134.01 146.49 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 64.319999999999993 110.36 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 ' C ' ' A' ' 45' ' ' LEU . 2.7 tm? -133.0 136.63 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 64.340000000000003 109.325 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' A' ' 40' ' ' LEU . 1.3 tm? -114.99 99.07 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.282 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 2.1 tt0 -82.45 109.42 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.400000000000006 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.704 HD13 ' N ' ' A' ' 49' ' ' HIS . 2.4 tm? -98.05 131.68 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 51.240000000000002 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.704 ' N ' HD13 ' A' ' 48' ' ' LEU . 2.1 m170 -128.29 120.52 27.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 75.019999999999996 109.583 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 2.7 tt -104.43 125.38 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 73.239999999999995 109.336 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 43.5 p90 -144.17 138.7 28.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 111.007 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 52' ' ' TYR . 1.2 t80 -85.48 155.21 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 65.25 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t0 -127.87 130.09 47.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 75.340000000000003 109.277 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.444 ' H ' ' CD2' ' A' ' 54' ' ' HIS . 1.0 OUTLIER -84.23 3.5 35.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 63.43 109.599 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.522 HG23 ' OD1' ' A' ' 53' ' ' ASP . 67.0 t -72.16 -50.67 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 51.43 109.359 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.402 ' C ' HG22 ' A' ' 58' ' ' VAL . 81.6 m-85 -115.91 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.120000000000005 110.985 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.0 m-70 57.86 56.63 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 74.150000000000006 109.647 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -156.09 164.91 19.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 74.120000000000005 109.304 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.94 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 72.129999999999995 110.998 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 10.9 m -122.3 177.42 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 73.549999999999997 110.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.616 HG21 HD12 ' A' ' 113' ' ' ILE . 2.9 mt -139.21 136.33 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 75.150000000000006 109.306 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 112' ' ' TYR . 11.9 ttpt -155.61 116.46 3.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 72.209999999999994 109.327 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 91' ' ' LEU . 23.3 p90 -135.38 170.48 15.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 65.510000000000005 111.014 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.762 ' HB3' HD11 ' A' ' 79' ' ' LEU . 5.5 mtm180 -150.64 113.0 4.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 79' ' ' LEU . 8.8 mp -66.48 145.34 55.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 62.219999999999999 109.316 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CZ2' HD13 ' A' ' 79' ' ' LEU . 83.2 m95 -133.15 151.68 51.97 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 72.299999999999997 108.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.724 ' HB2' HD11 ' A' ' 80' ' ' LEU . 1.3 t -119.09 97.83 5.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.604 HD13 ' CZ ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -68.61 123.84 21.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -118.21 113.47 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 70.430000000000007 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.66 33.85 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 110.433 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.48 -36.37 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 54.310000000000002 110.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.666 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.7 mt-10 -108.33 -1.65 19.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.76 47.54 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 73.209999999999994 109.318 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.727 ' H ' HD13 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.96 -8.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 75.299999999999997 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 t 81.52 45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 41.210000000000001 110.02 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.714 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -77.99 178.97 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 44.200000000000003 110.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 77' ' ' LEU . 3.2 pp -174.13 160.36 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 61.450000000000003 109.262 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -155.0 130.04 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 74.340000000000003 110.324 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.4 tp -49.14 136.21 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.349999999999994 109.269 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 67' ' ' SER . 42.6 mt -99.64 115.43 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 74.439999999999998 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.5 m -118.34 93.14 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.030000000000001 110.407 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.842 HD13 ' HB2' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -124.17 167.03 14.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 60.439999999999998 109.305 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 171.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 61.25 109.979 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -63.8 -38.91 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 65.420000000000002 109.3 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -50.2 -42.42 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 72.549999999999997 110.008 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.842 ' HB2' HD13 ' A' ' 82' ' ' LEU . 3.4 mt-10 -79.62 -45.15 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.230000000000004 110.26 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.917 HD11 HD12 ' A' ' 91' ' ' LEU . 2.9 tm? -58.66 -22.67 57.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 75.239999999999995 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -86.02 -21.87 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 110.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -58.57 -16.18 14.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 52.229999999999997 110.004 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -124.74 -44.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 33.530000000000001 109.272 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.917 HD12 HD11 ' A' ' 87' ' ' LEU . 4.8 mt -78.17 173.21 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 74.040000000000006 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 140' ' ' ILE . 71.3 m-80 -133.6 100.52 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.319999999999993 109.335 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.615 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -93.75 -57.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 109.28 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.01 -85.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 73.519999999999996 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -122.81 4.45 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.400000000000006 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.22 -171.78 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 64.030000000000001 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -145.36 162.76 36.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 63.210000000000001 109.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.576 HG22 ' H ' ' A' ' 99' ' ' THR . 7.5 p -148.91 172.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 65.109999999999999 109.306 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.576 ' H ' HG22 ' A' ' 98' ' ' VAL . 1.3 m -150.33 111.29 4.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 73.230000000000004 110.359 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 109' ' ' VAL . 7.9 tt -89.43 121.52 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 75.439999999999998 109.255 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -127.62 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 71.5 109.982 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.75 HG22 HG22 ' A' ' 109' ' ' VAL . 2.2 p -128.27 153.99 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 71.099999999999994 110.444 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.34 167.72 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 71.129999999999995 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 37.4 tpp -57.08 -29.62 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 111.051 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.52 -18.74 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 72.310000000000002 110.328 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.2 mtp 52.21 24.15 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 64.510000000000005 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -15.65 16.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 75.239999999999995 109.325 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -129.18 157.98 40.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 72.430000000000007 110.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 100' ' ' LEU . 3.2 t -144.16 153.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.120000000000005 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -140.97 167.65 21.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.319999999999993 110.973 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CE1' HD12 ' A' ' 100' ' ' LEU . 30.0 m-85 -122.88 78.58 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 110.98 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 48.5 m-85 -65.84 105.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 72.450000000000003 111.011 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.616 HD12 HG21 ' A' ' 61' ' ' ILE . 5.6 mt -70.66 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -66.72 111.03 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 8.5 p-10 -140.63 45.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 71.129999999999995 109.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.0 p -89.4 -46.27 8.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 108.275 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 120' ' ' ALA . 11.2 p-10 -108.69 76.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.400000000000006 109.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.914 HG22 ' OH ' ' A' ' 129' ' ' TYR . 1.1 m -83.18 -57.37 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 71.340000000000003 110.359 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.408 ' HB2' ' N ' ' A' ' 0' ' ' SER . 24.5 t0 -50.43 -26.54 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 62.130000000000003 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 117' ' ' ASP . . . -87.89 -28.27 21.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 65.230000000000004 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' THR . 59.5 m-20 -86.7 -70.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 73.010000000000005 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.914 HG22 ' CD1' ' A' ' 136' ' ' LEU . 37.5 t -60.28 -66.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 72.430000000000007 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 124' ' ' SER . . . 88.0 -33.13 4.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.553 1.158 . . . . 70.129999999999995 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 33.1 t -36.8 141.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 64.109999999999999 109.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -59.79 176.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 71.310000000000002 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 2' ' ' LEU . 33.3 t -82.96 -8.02 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -54.79 -67.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 70.439999999999998 110.311 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.44 ' CB ' ' OG1' ' A' ' 131' ' ' THR . 0.0 OUTLIER -123.72 47.43 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 63.020000000000003 109.603 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.914 ' OH ' HG22 ' A' ' 118' ' ' THR . 3.4 t80 -67.77 -36.25 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 64.430000000000007 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 7' ' ' TYR . 2.4 mm? -68.02 -26.04 65.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 73.150000000000006 109.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.44 ' OG1' ' CB ' ' A' ' 128' ' ' HIS . 16.9 p -90.56 -30.51 17.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 75.510000000000005 110.413 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -16.28 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 65.310000000000002 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 79.6 t90 -88.26 -42.02 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 72.540000000000006 108.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.803 HD12 ' CE2' ' A' ' 137' ' ' TYR . 7.0 tp -58.23 -50.0 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.299999999999997 109.294 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.6 ' HA ' HG22 ' A' ' 138' ' ' ILE . 45.1 t -74.06 -0.01 15.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 75.400000000000006 110.007 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.914 ' CD1' HG22 ' A' ' 122' ' ' VAL . 2.9 tt -98.22 -43.79 6.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 61.43 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.803 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -89.66 -40.09 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 73.510000000000005 111.006 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.682 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 6.3 tp -56.95 -23.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.219999999999999 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.6 mtp180 -64.58 -11.06 30.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 74.129999999999995 110.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 92' ' ' ASN . 24.0 mt -88.57 -10.89 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.424 ' CE2' ' HE1' ' A' ' 137' ' ' TYR . 96.9 m-85 -115.85 -28.08 6.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 111.017 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.568 ' OD1' ' CE2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -147.99 117.93 7.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 42.520000000000003 109.266 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.649 HD12 ' CG ' ' A' ' 92' ' ' ASN . 8.4 mt -98.53 3.07 48.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 42.43 109.324 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 144' ' ' ASN . 2.2 m-80 -106.06 -18.16 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.329999999999998 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 1.9 t80 -101.22 102.31 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 72.439999999999998 110.99 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.94 93.62 30.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 72.420000000000002 109.312 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.977 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 72.450000000000003 110.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.474 ' CB ' ' CG1' ' A' ' 58' ' ' VAL . 2.4 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.0 -0.37 . . . . 53.43 110.0 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptm -89.43 -13.99 36.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 62.25 110.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.764 HD21 ' HB2' ' A' ' 7' ' ' TYR . 16.3 tp -50.81 110.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 73.340000000000003 109.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.501 HG23 ' OE1' ' A' ' 6' ' ' GLU . 60.7 p -77.51 -171.42 2.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 110.443 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -75.75 -45.66 4.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 109.326 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 71.420000000000002 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.732 ' HB3' HD12 ' A' ' 2' ' ' LEU . 26.3 mt-10 -88.51 -39.72 13.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 75.219999999999999 110.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.881 ' OH ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.23 -36.68 19.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 111.005 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.587 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 15.6 t-20 -63.92 -18.34 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.439999999999998 109.313 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -72.91 -24.6 60.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.109999999999999 110.262 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 130' ' ' LEU . 21.3 mt-30 -111.49 12.04 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 75.329999999999998 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.881 HD11 ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -58.81 -46.16 99.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.019999999999996 109.338 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 11' ' ' ILE . 18.5 Cg_endo -74.91 0.11 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 71.030000000000001 111.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 3.1 m-20 -94.02 -33.6 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 71.25 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 130' ' ' LEU . 97.7 t -77.89 -39.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.150000000000006 109.268 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 43.3 ptt85 -66.39 -31.28 71.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.267 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.791 ' O ' HG23 ' A' ' 19' ' ' THR . 22.7 t -62.59 -60.85 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 64.219999999999999 110.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.955 HD13 ' CB ' ' A' ' 147' ' ' PRO . 3.4 pp -59.16 -23.57 62.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 70.439999999999998 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -58.58 -21.14 52.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 53.329999999999998 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 16' ' ' SER . 60.9 p -68.4 -7.59 32.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 61.109999999999999 110.391 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 145' ' ' PHE . 44.4 mttp -86.79 -29.77 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.776 ' CH2' HG21 ' A' ' 38' ' ' VAL . 1.6 t90 -59.17 108.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 75.25 108.039 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.68 ' HB2' HG13 ' A' ' 38' ' ' VAL . 3.6 mtmm -76.94 -26.25 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.109999999999999 109.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' CE3' ' A' ' 21' ' ' TRP . 15.6 t -70.91 124.63 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 73.230000000000004 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -113.17 -19.96 11.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 60.509999999999998 110.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' CB ' ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.400000000000006 110.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -128.04 104.77 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 61.539999999999999 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' HD23 ' A' ' 34' ' ' LEU . 23.0 tt0 -132.35 156.02 47.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 71.209999999999994 110.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.2 p-10 -120.66 163.69 17.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.329999999999998 109.287 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG22 ' CA ' ' A' ' 34' ' ' LEU . 2.6 m -134.77 168.68 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.7 OUTLIER -65.49 93.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 71.310000000000002 110.317 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER 78.74 52.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.276 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.78 -159.19 31.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 62.039999999999999 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -156.38 160.47 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 72.319999999999993 109.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.766 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.3 tm0? -146.56 106.86 4.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -105.45 163.52 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 71.209999999999994 109.277 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' HB2' ' CB ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -114.47 95.17 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 72.299999999999997 109.289 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.776 HG21 ' CH2' ' A' ' 21' ' ' TRP . 18.6 t -84.01 146.31 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 72.349999999999994 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -111.33 85.09 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 71.109999999999999 110.319 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB3' HG21 ' A' ' 90' ' ' ILE . 28.4 mt -63.93 -51.48 64.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.329999999999998 109.321 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 7.4 ttmt -135.23 156.57 48.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.019999999999996 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -59.93 -15.96 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 74.040000000000006 110.397 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' LEU . 32.4 m-20 -123.99 17.48 9.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 42.119999999999997 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 66' ' ' TRP . 91.6 m -139.0 151.21 46.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.4 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.76 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -135.23 136.76 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 109.288 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.771 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.39 99.56 7.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.519 ' N ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -87.27 108.8 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.266 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.666 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 0.6 OUTLIER -95.66 139.14 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 70.209999999999994 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -134.5 112.12 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 109.633 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 34' ' ' LEU . 14.3 tt -89.41 136.63 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 71.319999999999993 109.261 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CZ ' ' CB ' ' A' ' 60' ' ' SER . 5.0 p90 -151.5 129.44 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.63 ' CD1' HD23 ' A' ' 4' ' ' LEU . 11.6 t80 -79.01 133.08 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 111.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.582 ' CG ' HG12 ' A' ' 55' ' ' VAL . 13.0 t0 -102.31 119.71 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 70.530000000000001 109.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.452 ' CE1' HD23 ' A' ' 4' ' ' LEU . 1.2 m-70 -81.12 3.6 22.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 71.219999999999999 109.6 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.698 ' CG1' ' CD2' ' A' ' 56' ' ' TYR . 1.4 p -82.65 -36.01 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.698 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 28.0 m-85 -116.17 -7.55 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 110.979 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.521 ' O ' HG13 ' A' ' 58' ' ' VAL . 62.5 m-70 65.04 49.1 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.519999999999996 109.61 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -157.38 163.68 24.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.535 ' HD3' HD23 ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 150.35 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 64.519999999999996 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 51' ' ' TYR . 33.5 t -123.96 176.58 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 74.329999999999998 109.999 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.626 HD11 ' CG ' ' A' ' 137' ' ' TYR . 9.2 mt -137.18 141.18 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 63.509999999999998 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HD3' ' CE2' ' A' ' 112' ' ' TYR . 13.4 ttpt -155.66 117.11 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 72.25 109.348 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 91' ' ' LEU . 38.7 p90 -136.13 164.6 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 64.319999999999993 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.767 ' HB3' HD11 ' A' ' 79' ' ' LEU . 10.0 mtm180 -137.28 134.18 35.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 72.319999999999993 110.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.045 HD11 HD13 ' A' ' 87' ' ' LEU . 83.2 mt -72.41 148.27 45.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 60.149999999999999 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.858 ' O ' HG23 ' A' ' 44' ' ' THR . 94.6 m95 -139.95 160.06 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 108.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.75 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -130.81 97.9 4.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 74.439999999999998 109.971 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.33 124.61 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 65.140000000000001 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.61 113.28 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.28 30.16 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 73.299999999999997 110.409 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -42.43 -42.22 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 65.319999999999993 110.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HB2' HG23 ' A' ' 74' ' ' ILE . 4.2 mt-10 -104.09 -15.5 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 54.439999999999998 110.335 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 5.8 t0 81.15 48.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 60.020000000000003 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.807 HD11 ' HB2' ' A' ' 76' ' ' SER . 0.2 OUTLIER -114.4 -9.89 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 63.130000000000003 109.291 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.5 t 84.04 41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 71.329999999999998 109.994 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.807 ' HB2' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -75.34 176.33 7.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 62.310000000000002 110.007 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.484 HD12 ' C ' ' A' ' 77' ' ' LEU . 3.6 pp -168.38 162.98 12.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.343 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 67' ' ' SER . 7.0 tpt180 -155.41 131.41 10.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 73.299999999999997 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 65' ' ' LEU . 17.4 tp -50.23 132.36 24.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 67' ' ' SER . 29.3 mt -99.51 162.63 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.338 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 80' ' ' LEU . 2.4 p -156.67 111.47 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 110.416 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -142.0 167.0 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 72.519999999999996 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -55.62 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 75.129999999999995 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.94 -41.25 21.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 71.519999999999996 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -64.67 -36.57 84.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 75.519999999999996 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.582 ' HB3' HD12 ' A' ' 82' ' ' LEU . 3.7 mm-40 -75.13 -29.75 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.230000000000004 110.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.045 HD13 HD11 ' A' ' 65' ' ' LEU . 2.2 tp -82.73 -27.36 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.209999999999994 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -7.2 33.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 65.230000000000004 110.286 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.572 ' HB3' HD13 ' A' ' 90' ' ' ILE . 1.9 t -67.05 -25.26 66.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 73.340000000000003 110.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.677 HD13 ' N ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.16 -37.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 73.510000000000005 109.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.875 ' CD1' HD11 ' A' ' 87' ' ' LEU . 92.6 mt -85.37 -179.66 7.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 62.200000000000003 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.533 ' CG ' HD12 ' A' ' 143' ' ' LEU . 69.7 m-80 -143.95 97.24 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 74.540000000000006 109.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.63 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -93.29 -58.2 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 109.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.62 -81.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 44.020000000000003 111.013 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' LEU . 14.8 t -113.52 -21.41 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 73.230000000000004 110.43 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 140' ' ' ILE . 16.0 m-85 -65.03 -171.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 64.209999999999994 110.954 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.8 m -148.26 171.99 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 74.319999999999993 110.003 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 99' ' ' THR . 14.4 p -153.67 170.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' VAL . 1.4 m -138.03 114.78 10.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.540000000000006 110.408 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.96 HD22 ' CE1' ' A' ' 111' ' ' TYR . 1.6 tp -93.99 120.85 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 64.219999999999999 109.258 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.469 ' N ' HD12 ' A' ' 100' ' ' LEU . 5.9 t -118.91 138.31 52.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 53.530000000000001 110.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.75 HG23 HG22 ' A' ' 109' ' ' VAL . 8.4 m -146.43 151.92 38.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 75.010000000000005 110.418 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -99.02 160.95 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.239999999999995 109.244 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpp -53.07 -36.58 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 73.540000000000006 111.021 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -28.41 55.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.6 mmm 62.09 23.47 13.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 44.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 108' ' ' SER . 0.0 OUTLIER -104.21 -34.74 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 60.409999999999997 109.298 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.463 ' HB3' ' CE ' ' A' ' 107' ' ' LYS . 89.9 p -110.23 134.7 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 65.120000000000005 110.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.75 HG22 HG23 ' A' ' 102' ' ' THR . 60.7 t -149.42 152.8 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.119999999999997 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -148.65 160.2 43.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 110.963 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.96 ' CE1' HD22 ' A' ' 100' ' ' LEU . 32.8 m-85 -119.66 80.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.140000000000001 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 89.7 m-85 -68.41 109.02 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.947 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 141' ' ' PHE . 6.4 mt -75.73 142.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 42.329999999999998 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.22 112.92 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 63.100000000000001 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 59' ' ' PRO . 20.9 t30 -119.57 8.58 11.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 72.329999999999998 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 19.0 p -70.15 -29.73 66.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 71.319999999999993 108.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.67 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 65.519999999999996 109.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m -83.21 -62.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 110.423 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.82 -21.5 63.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.040000000000006 109.275 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.98 31.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -93.73 -69.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 75.540000000000006 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.891 HG22 HD13 ' A' ' 136' ' ' LEU . 3.3 t -76.02 -65.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 74.349999999999994 109.326 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 102.14 -116.79 5.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 75.319999999999993 111.041 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.609 ' O ' ' CD1' ' A' ' 129' ' ' TYR . 5.9 p -86.22 -99.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 74.420000000000002 109.998 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 124' ' ' SER . 2.3 m-20 34.79 53.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.76 -8.49 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.049999999999997 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -67.63 -66.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.340000000000003 110.333 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 47.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 74.5 109.597 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 124' ' ' SER . 5.2 t80 -74.03 -41.14 62.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.716 HD11 ' CD2' ' A' ' 7' ' ' TYR . 3.0 mm? -67.68 -27.73 67.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 64.420000000000002 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.6 p -88.07 -34.89 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 72.219999999999999 110.383 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.8 tpt85 -84.72 -17.12 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 64.519999999999996 110.318 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.515 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 81.8 t90 -84.36 -45.39 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.972 -1.122 . . . . 74.120000000000005 107.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.843 HD12 ' CE2' ' A' ' 137' ' ' TYR . 8.0 tp -56.68 -53.78 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 72.349999999999994 109.352 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.591 ' HA ' HG22 ' A' ' 138' ' ' ILE . 37.6 t -71.31 1.47 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.979 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.891 HD13 HG22 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -96.74 -45.88 6.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 109.312 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.843 ' CE2' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -94.26 -42.95 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 110.995 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 134' ' ' ILE . 5.9 tp -48.36 -24.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.319999999999993 109.281 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 135' ' ' SER . 46.4 mtp85 -59.73 -39.26 84.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 110.297 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 92' ' ' ASN . 72.4 mt -61.51 -11.4 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 63.350000000000001 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.666 ' CE2' ' CD1' ' A' ' 48' ' ' LEU . 82.0 m-85 -112.59 -31.76 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 71.239999999999995 111.041 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 145' ' ' PHE . 17.7 t0 -148.51 106.97 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 43.130000000000003 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 92' ' ' ASN . 7.0 mt -90.06 3.18 54.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 75.340000000000003 109.257 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.62 -18.74 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 61.219999999999999 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 3.3 t80 -102.92 109.39 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.230000000000004 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.87 92.0 37.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 71.349999999999994 109.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.955 ' CB ' HD13 ' A' ' 17' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 74.239999999999995 111.003 -179.991 . . . . . . . . 1 1 . 1 stop_ save_